TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T99799 Cholinesterase D04AIT B-Lactams Approved 5280445 C15H10O6 286.24 C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O Ki = 166100 nM Poor binder T99799 Cholinesterase D0R9VR Galantamine Approved 9651 C17H21NO3 287.35 CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O IC50 = 50900 nM Poor binder T99799 Cholinesterase D0UU9Y Propentofylline propionate Approved 4938 C15H22N4O3 306.36 CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C IC50 ~ 50000 nM Poor binder T99799 Cholinesterase D0WY5Q Rivastigmine Approved 77991 C14H22N2O2 250.34 CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C IC50 = 54000 nM Poor binder T99799 Cholinesterase D0M3IN Xanthine Phase 1 1188 C5H4N4O2 152.11 C1=NC2=C(N1)C(=O)NC(=O)N2 IC50 ~ 50000 nM Poor binder T99799 Cholinesterase D03XTA PMID28870136-Compound-49 Patented 4740 C13H18N4O3 278.31 CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C IC50 ~ 50000 nM Poor binder T99799 Cholinesterase D0H9IX PMID28870136-Compound-52 Patented 2519 C8H10N4O2 194.19 CN1C=NC2=C1C(=O)N(C(=O)N2C)C IC50 ~ 50000 nM Poor binder T99799 Cholinesterase D0Y3DN Flavonoid derivative 4 Patented 5280343 C15H10O7 302.23 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O Ki = 68000 nM Poor binder T99799 Cholinesterase B01XOQ 1,4-Diphenylbutane-2,3-dione Investigative 229680 C16H14O2 238.28 C1=CC=C(C=C1)CC(=O)C(=O)CC2=CC=CC=C2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase B02HSV 5,6-Dimethoxy-2-[1-(4-nitro-benzyl)-piperidin-4-ylmethyl]-indan-1-one; hydrochloride Investigative 10526350 C24H28N2O5 424.5 COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-])OC IC50 = 85800 nM Poor binder T99799 Cholinesterase B08SCZ Ethyl (4R)-5-amino-4-(4-methoxyphenyl)-2-methyl-1,4,6,7,8,9-hexahydrobenzo[b][1,8]naphthyridine-3-carboxylate Investigative 42637909 C23H27N3O3 393.5 CCOC(=O)C1=C(NC2=NC3=C(CCCC3)C(=C2[C@H]1C4=CC=C(C=C4)OC)N)C IC50 ~ 100000 nM Poor binder T99799 Cholinesterase B0ANL5 3-[(1S)-1-(4-Fluorophenyl)-5-[5-[4-(2H-tetrazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine Investigative 122186505 C28H27FN8O 510.6 CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C3=NNC(=N3)C4=CC=C(C=C4)C5=NNN=N5)C6=CC=C(C=C6)F IC50 = 75890 nM Poor binder T99799 Cholinesterase B0AO4Z (1E,4E)-1,5-Bis(4-pyrrolidin-1-ylphenyl)penta-1,4-dien-3-one Investigative 88749792 C25H28N2O 372.5 C1CN(CC1)C2=CC=C(C=C2)/C=C/C(=O)/C=C/C3=CC=C(C=C3)N4CCCC4 IC50 ~ 100000 nM Poor binder T99799 Cholinesterase B0BRC7 [(E)-(6-Hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]thiourea Investigative 136260528 C6H7N5O3S 229.22 C(=N/NC(=S)N)\\C1=C(NC(=O)NC1=O)O IC50 = 56510 nM Poor binder T99799 Cholinesterase B0D3NM 2-{4-[(Benzylmethylamino)methyl]benzylidene}-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one Investigative 46228812 C28H29NO3 427.5 CN(CC1=CC=CC=C1)CC2=CC=C(C=C2)/C=C/3\\CCC4=CC(=C(C=C4C3=O)OC)OC IC50 = 72800 nM Poor binder T99799 Cholinesterase B0E8UZ Tert-butyl-methyl-carbamic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester Investigative 23635400 C18H19F3N2O3 368.3 CC(C)(C)N(C)C(=O)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B0J2WA Ethyl 5-amino-2-methyl-4-pyridin-4-yl-1,4,6,7,8,9-hexahydrobenzo[b]-1,8-naphthyridine-3-carboxylate Investigative 42618138 C21H24N4O2 364.4 CCOC(=O)C1=C(NC2=NC3=C(CCCC3)C(=C2C1C4=CC=NC=C4)N)C IC50 ~ 100000 nM Poor binder T99799 Cholinesterase B0L8QY 5,6-Dichloro-1H-indole-2,3-dione Investigative 11009341 C8H3Cl2NO2 216.02 C1=C2C(=CC(=C1Cl)Cl)NC(=O)C2=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase B0L8TB Methyl-phenyl-carbamic acid 4-(3,5-dichloropyridin-4-yloxy)-phenyl ester Investigative 10150622 C19H14Cl2N2O3 389.2 CN(C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)OC3=C(C=NC=C3Cl)Cl IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B0MR7F 4,7-Dimethyl-1H-indole-2,3-dione Investigative 3264931 C10H9NO2 175.18 CC1=C2C(=C(C=C1)C)NC(=O)C2=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase B0ND2U 1-(4-Fluorophenyl)-3-[(E)-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]thiourea Investigative 136239361 C12H10FN5O2S2 339.4 C1=CC(=CC=C1NC(=S)N/N=C/C2=C(NC(=S)NC2=O)O)F IC50 = 57810 nM Poor binder T99799 Cholinesterase B0OH2N 1-[(E)-(6-Hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]-3-[3-(trifluoromethyl)phenyl]thiourea Investigative 136260466 C13H10F3N5O3S 373.31 C1=CC(=CC(=C1)NC(=S)N/N=C/C2=C(NC(=O)NC2=O)O)C(F)(F)F IC50 = 136910 nM Poor binder T99799 Cholinesterase B0P1WZ 7-Methoxyindoline-2,3-dione Investigative 4088910 C9H7NO3 177.16 COC1=CC=CC2=C1NC(=O)C2=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase B0PE5G N,N'-[Octamethylenebis[methyliminocarbonyl(pentamethylene)]]bis(N-ethyl-2-nitrobenzenemethanamine) Investigative 11007082 C40H64N6O6 725 CCN(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(CC)CC1=CC=CC=C1[N+](=O)[O-])CC2=CC=CC=C2[N+](=O)[O-] IC50 = 54954.09 nM Poor binder T99799 Cholinesterase B0PT9Z N-Isobutyroylbuxahyrcanine Investigative 11027124 C30H52N2O2 472.7 C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC=C3[C@H]2CC[C@@H]4[C@@](C3)(CC[C@@H](C4(C)C)NC(=O)C(C)C)O)C)C)N(C)C IC50 = 53700 nM Poor binder T99799 Cholinesterase B0Q1ZX Dibenzyl sulfoxide Investigative 12116 C14H14OS 230.33 C1=CC=C(C=C1)CS(=O)CC2=CC=CC=C2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase B0SOM1 1,2-Bis(4-ethoxyphenyl)ethane-1,2-dione Investigative 4369935 C18H18O4 298.3 CCOC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)OCC Ki ~ 100000 nM Poor binder T99799 Cholinesterase B0T4QZ 7-Methoxy-1-(3-methylbut-2-enyl)-3-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyliminomethyl]-9H-carbazol-2-ol Investigative 136264303 C35H38N4O2 546.7 CC(=CCC1=C(C(=CC2=C1NC3=C2C=CC(=C3)OC)C=NCCCNC4=C5CCCCC5=NC6=CC=CC=C64)O)C IC50 = 64320 nM Poor binder T99799 Cholinesterase B0TD7O Tetradecane-7,8-dione Investigative 237515 C14H26O2 226.35 CCCCCCC(=O)C(=O)CCCCCC Ki ~ 100000 nM Poor binder T99799 Cholinesterase B10NXW 3-{[(7-{[(2Z)-2-Benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}heptyl)(methyl)amino]methyl}phenyl methylcarbamate Investigative 11329992 C32H36N2O5 528.6 CNC(=O)OC1=CC=CC(=C1)CN(C)CCCCCCCOC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=CC=C4)/O3 IC50 = 57900 nM Poor binder T99799 Cholinesterase B14MAR (3Z,5E)-1-Methyl-3,5-bis[(4-pyrrolidin-1-ylphenyl)methylidene]piperidin-4-one Investigative 90645129 C28H33N3O 427.6 CN1C/C(=C\\C2=CC=C(C=C2)N3CCCC3)/C(=O)/C(=C\\C4=CC=C(C=C4)N5CCCC5)/C1 IC50 = 66750 nM Poor binder T99799 Cholinesterase B15IZL 4-Methyl-piperidine-1-carboxylic Acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl Ester Investigative 23635635 C19H19F3N2O3 380.4 CC1CCN(CC1)C(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B16UDP (2E)-2-[[4-[[Benzyl(methyl)amino]methyl]phenyl]methylidene]-5,6-dimethoxy-3H-inden-1-one Investigative 46228657 C27H27NO3 413.5 CN(CC1=CC=CC=C1)CC2=CC=C(C=C2)/C=C/3\\CC4=CC(=C(C=C4C3=O)OC)OC IC50 = 144000 nM Poor binder T99799 Cholinesterase B16ZAS 1-Decylpiperidine-3-carboxamide Investigative 20208765 C16H32N2O 268.44 CCCCCCCCCCN1CCCC(C1)C(=O)N IC50 = 61659.5 nM Poor binder T99799 Cholinesterase B18UKQ 2-[3-[(1S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-yl]-1H-1,2,4-triazol-5-yl]phenol Investigative 136110932 C27H27FN4O2 458.5 CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C3=NNC(=N3)C4=CC=CC=C4O)C5=CC=C(C=C5)F IC50 = 101520 nM Poor binder T99799 Cholinesterase B19PYL 10-[Dimethyl-[2-[(1R,4S,5R,9S,10R,13S)-5,9,13-trimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbonyl]oxyethyl]azaniumyl]decyl-dimethyl-[2-[(1R,4S,5R,9S,10R,13S)-5,9,13-trimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbonyl]oxyethyl]azanium;dibromide Investigative 90667348 C58H98Br2N2O6 1079.2 C[C@]12CC[C@H]3[C@@]4(CCC[C@@]([C@H]4CC[C@@]3(C1)CC2=O)(C)C(=O)OCC[N+](C)(C)CCCCCCCCCC[N+](C)(C)CCOC(=O)[C@@]5(CCC[C@@]6([C@@H]5CC[C@@]78[C@H]6CC[C@@](C7)(C(=O)C8)C)C)C)C.[Br-].[Br-] IC50 = 65000 nM Poor binder T99799 Cholinesterase B1AGR4 Methyl-o-tolyl-carbamic acid 4-(trifluoromethylpyridin-2-yloxy)-phenyl ester Investigative 23635515 C21H17F3N2O3 402.4 CC1=CC=CC=C1N(C)C(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B1AU4P 5-Chloro-7-methylisatin Investigative 366710 C9H6ClNO2 195.6 CC1=CC(=CC2=C1NC(=O)C2=O)Cl Ki ~ 100000 nM Poor binder T99799 Cholinesterase B1EYD5 2-[(E)-4-Isoquinolin-2-ium-2-ylbut-2-enyl]isoquinolin-2-ium;dibromide Investigative 51039357 C22H20Br2N2 472.2 C1=CC=C2C=[N+](C=CC2=C1)C/C=C/C[N+]3=CC4=CC=CC=C4C=C3.[Br-].[Br-] IC50 = 64000 nM Poor binder T99799 Cholinesterase B1F9QZ 5,6-Dimethoxy-2-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-2,3-dihydroinden-1-one Investigative 134155988 C25H28F3NO3 447.5 COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC(=CC=C4)C(F)(F)F)OC IC50 = 76900 nM Poor binder T99799 Cholinesterase B1JF0A 1,2-Bis[3-(trifluoromethyl)phenyl]ethane-1,2-dione Investigative 22574246 C16H8F6O2 346.22 C1=CC(=CC(=C1)C(F)(F)F)C(=O)C(=O)C2=CC(=CC=C2)C(F)(F)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase B1KO2B 7-Methoxyheptaphylline Investigative 189688 C19H19NO3 309.4 CC(=CCC1=C(C(=CC2=C1NC3=C2C=CC(=C3)OC)C=O)O)C IC50 ~ 100000 nM Poor binder T99799 Cholinesterase B1M5UJ N-Pyridin-4-yl-succinamic acid Investigative 818170 C9H10N2O3 194.19 C1=CN=CC=C1NC(=O)CCC(=O)O IC50 = 56450 nM Poor binder T99799 Cholinesterase B1PBO9 5-Piperidin-1-ylpentanoicacid(4-{4-[(benzylmethylamino)methyl]benzoyl}phenyl)amide Investigative 53231344 C32H39N3O2 497.7 CN(CC1=CC=CC=C1)CC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)NC(=O)CCCCN4CCCCC4 IC50 = 68000 nM Poor binder T99799 Cholinesterase B1PKD8 (4-((Benzyl(methyl)amino)methyl)phenyl)(3,4-dimethoxyphenyl)methanone Investigative 42597801 C24H25NO3 375.5 CN(CC1=CC=CC=C1)CC2=CC=C(C=C2)C(=O)C3=CC(=C(C=C3)OC)OC IC50 = 60700 nM Poor binder T99799 Cholinesterase B1QL4V (2E)-2-[[4-(Dimethylamino)-2-nitrophenyl]methylidene]-3H-inden-1-one Investigative 90645123 C18H16N2O3 308.3 CN(C)C1=CC(=C(C=C1)/C=C/2\\CC3=CC=CC=C3C2=O)[N+](=O)[O-] IC50 ~ 100000 nM Poor binder T99799 Cholinesterase B1SAB9 3,4-Difluoro-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl)benzamide Investigative 49857909 C20H12F2N2O3 366.3 C1=CC=NC(=C1)C(=O)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)F)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase B1VJ5R 1-[(4-Bromoanilino)methyl]indole-2,3-dione Investigative 4338240 C15H11BrN2O2 331.16 C1=CC=C2C(=C1)C(=O)C(=O)N2CNC3=CC=C(C=C3)Br Ki ~ 100000 nM Poor binder T99799 Cholinesterase B24OCQ 1-(Hydroxymethyl)indole-2,3-dione Investigative 39834 C9H7NO3 177.16 C1=CC=C2C(=C1)C(=O)C(=O)N2CO Ki ~ 100000 nM Poor binder T99799 Cholinesterase B2C5UT 3,4-Dihydro-1H-isoquinoline-2-carboxylic acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl Ester Investigative 23635514 C22H17F3N2O3 414.4 C1CN(CC2=CC=CC=C21)C(=O)OC3=CC=C(C=C3)OC4=NC=C(C=C4)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B2D3UK 2-[[1-[(4-Chlorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one Investigative 68259803 C24H28ClNO3 413.9 COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=C(C=C4)Cl)OC IC50 = 81600 nM Poor binder T99799 Cholinesterase B2GQ9A 4-Benzyl-piperidine-1-carboxylic acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl Ester Investigative 23635636 C25H23F3N2O3 456.5 C1CN(CCC1CC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)OC4=NC=C(C=C4)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B2JB3K 3-{[Methyl(3-{[(2Z)-2-(2-naphthylmethylene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propyl)amino]methyl}phenyl methylcarbamate Investigative 11179973 C32H30N2O5 522.6 CNC(=O)OC1=CC=CC(=C1)CN(C)CCCOC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC5=CC=CC=C5C=C4)/O3 IC50 = 70300 nM Poor binder T99799 Cholinesterase B2K0OQ 2-[[1-[(6-Chloropyridin-2-yl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one Investigative 134146339 C23H27ClN2O3 414.9 COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=NC(=CC=C4)Cl)OC IC50 = 78700 nM Poor binder T99799 Cholinesterase B2KUP8 N-(1-Adamantyl)-1H-benzoimidazole-2-amine Investigative 71723590 C17H21N3 267.37 C1C2CC3CC1CC(C2)(C3)NC4=NC5=CC=CC=C5N4 IC50 ~ 100000 nM Poor binder T99799 Cholinesterase B2OR3E Methyl-phenyl-carbamic acid 4-(3,5-dichloro-pyridin-2-yloxy)-phenyl ester Investigative 10215997 C19H14Cl2N2O3 389.2 CN(C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)OC3=C(C=C(C=N3)Cl)Cl IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B2QI6L N-[4-[(3,4-Dimethoxyphenyl)methylamino]quinazolin-2-yl]acetamide Investigative 137654627 C19H20N4O3 352.4 CC(=O)NC1=NC2=CC=CC=C2C(=N1)NCC3=CC(=C(C=C3)OC)OC IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B2R4HF 9,10-Octadecanedione Investigative 10902085 C18H34O2 282.5 CCCCCCCCC(=O)C(=O)CCCCCCCC Ki ~ 100000 nM Poor binder T99799 Cholinesterase B2W4OC 2-[3-[(1S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-yl]-1H-1,2,4-triazol-5-yl]aniline Investigative 122186375 C27H28FN5O 457.5 CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C3=NNC(=N3)C4=CC=CC=C4N)C5=CC=C(C=C5)F IC50 = 110530 nM Poor binder T99799 Cholinesterase B2WAU4 (2-Chloro-phenyl)-methyl-carbamic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester Investigative 23635632 C20H14ClF3N2O3 422.8 CN(C1=CC=CC=C1Cl)C(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B2X8PC (2E)-2-[(4-Pyrrolidin-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one Investigative 90645132 C21H21NO 303.4 C1CCN(C1)C2=CC=C(C=C2)/C=C/3\\CCC4=CC=CC=C4C3=O IC50 ~ 100000 nM Poor binder T99799 Cholinesterase B2XAU8 1-(4-Chlorophenyl)-3-[(E)-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]thiourea Investigative 136254439 C12H10ClN5O2S2 355.8 C1=CC(=CC=C1NC(=S)N/N=C/C2=C(NC(=S)NC2=O)O)Cl IC50 = 75410 nM Poor binder T99799 Cholinesterase B2XV1Z 4-Amino-2-(4-chlorophenyl)-5,6,7,8-tetrahydrofuro[2,3-b]quinoline-3-carbonitrile Investigative 56934056 C18H14ClN3O 323.8 C1CCC2=C(C1)C(=C3C(=C(OC3=N2)C4=CC=C(C=C4)Cl)C#N)N IC50 ~ 100000 nM Poor binder T99799 Cholinesterase B30EGW 2-Amino-9-[[(2S)-1-hydroxy-3-[(8-methyl-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-2-yl)oxy]propan-2-yl]oxymethyl]-1H-purin-6-one Investigative 136268789 C17H20N5O7P 437.3 CC1=C2C(=CC=C1)COP(=O)(O2)OC[C@H](CO)OCN3C=NC4=C3N=C(NC4=O)N IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B30SOJ 1-{[(3,4,5-Trimethoxyphenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione Investigative 2731732 C18H18N2O5 342.3 COC1=CC(=CC(=C1OC)OC)NCN2C3=CC=CC=C3C(=O)C2=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase B32XPZ 2-[2-Hydroxy-3-(hydroxymethyl)phenyl]-6-(hydroxymethyl)phenol Investigative 16114893 C14H14O4 246.26 C1=CC(=C(C(=C1)C2=CC=CC(=C2O)CO)O)CO IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B36KYA 9-Amino-3-butyl-2-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-3-ol Investigative 10825928 C17H22N2O 270.37 CCCCC1(C(CC2=C(C3=CC=CC=C3N=C21)N)C)O IC50 = 81000 nM Poor binder T99799 Cholinesterase B37WEA 1-Azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-triene-2,3,4-trione Investigative 2784639 C12H9NO3 215.2 C1CC2=C3C(=CC=C2)C(=O)C(=O)C(=O)N3C1 Ki ~ 100000 nM Poor binder T99799 Cholinesterase B39NCT 3-[(1S)-1-(4-Fluorophenyl)-5-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine Investigative 122186502 C28H29FN4O2 472.6 CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C3=NC(=NN3)C4=CC(=CC=C4)OC)C5=CC=C(C=C5)F IC50 = 103430 nM Poor binder T99799 Cholinesterase B3BV4C 2-{4-[(Benzylethylamino)methyl]benzylidene}-6-methoxyindan-1-one Investigative 46228686 C27H27NO2 397.5 CCN(CC1=CC=CC=C1)CC2=CC=C(C=C2)/C=C/3\\CC4=C(C3=O)C=C(C=C4)OC IC50 = 98100 nM Poor binder T99799 Cholinesterase B3C7YI Ethyl 5-amino-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4,6,7,8,9-hexahydrobenzo[b][1,8]naphthyridine-3-carboxylate Investigative 42618134 C23H24F3N3O2 431.4 CCOC(=O)C1=C(NC2=NC3=C(CCCC3)C(=C2C1C4=CC=CC=C4C(F)(F)F)N)C IC50 ~ 100000 nM Poor binder T99799 Cholinesterase B3CGL7 (3,4-Dimethoxyphenyl)-(4-{[methyl-(3-methylbenzyl)amino]methyl}phenyl)methanone Investigative 42598041 C25H27NO3 389.5 CC1=CC(=CC=C1)CN(C)CC2=CC=C(C=C2)C(=O)C3=CC(=C(C=C3)OC)OC IC50 = 125000 nM Poor binder T99799 Cholinesterase B3JUX2 Diphenyl oxalate Investigative 18475 C14H10O4 242.23 C1=CC=C(C=C1)OC(=O)C(=O)OC2=CC=CC=C2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase B3LI0J (E)-3-[3-Methoxy-4-(6-piperidin-1-ylhexoxy)phenyl]prop-2-enoic acid Investigative 137649676 C21H31NO4 361.5 COC1=C(C=CC(=C1)/C=C/C(=O)O)OCCCCCCN2CCCCC2 IC50 = 145690 nM Poor binder T99799 Cholinesterase B3LM2P 2-(4-Dimethylaminophenyl)-2-hydroxy-1-phenylethanone Investigative 590628 C16H17NO2 255.31 CN(C)C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O Ki ~ 100000 nM Poor binder T99799 Cholinesterase B3MXY2 Galantamine hydrobromide Investigative 121587 C17H22BrNO3 368.3 CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O.Br IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B3NH0W (3E,5E)-3,5-Bis[[4-(diethoxymethyl)phenyl]methylidene]-1-methylpiperidin-4-one Investigative 90645109 C30H39NO5 493.6 CCOC(OCC)C1=CC=C(C=C1)/C=C\\2/C(=O)/C(=C/C3=CC=C(C=C3)C(OCC)OCC)/CN(C2)C IC50 ~ 100000 nM Poor binder T99799 Cholinesterase B3U9JO 5,6-Dimethylmorpholine-2,3-dione Investigative 3469206 C6H9NO3 143.14 CC1C(OC(=O)C(=O)N1)C Ki ~ 100000 nM Poor binder T99799 Cholinesterase B3UCI7 4-(Bromomethyl)benzil Investigative 87502 C15H11BrO2 303.15 C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)CBr Ki ~ 100000 nM Poor binder T99799 Cholinesterase B3UH5Q 4-[3-[(1S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-yl]-1H-1,2,4-triazol-5-yl]phenol Investigative 136110931 C27H27FN4O2 458.5 CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C3=NNC(=N3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)F IC50 = 140220 nM Poor binder T99799 Cholinesterase B3V5NE N-(3-Phenylpropyl)-1H-benzimidazol-2-amine Investigative 60661850 C16H17N3 251.33 C1=CC=C(C=C1)CCCNC2=NC3=CC=CC=C3N2 IC50 ~ 100000 nM Poor binder T99799 Cholinesterase B3WP2T 3-{[(7-{[(2Z)-2-(3,5-Dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}heptyl)(methyl)amino]methyl}phenyl methylcarbamate Investigative 11250361 C32H34Cl2N2O5 597.5 CNC(=O)OC1=CC=CC(=C1)CN(C)CCCCCCCOC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=CC(=C4)Cl)Cl)/O3 IC50 = 130000 nM Poor binder T99799 Cholinesterase B3Z8GN 3,5,5-Trimethylcyclohexane-1,2-dione Investigative 93772 C9H14O2 154.21 CC1CC(CC(=O)C1=O)(C)C Ki ~ 100000 nM Poor binder T99799 Cholinesterase B3Z9CR 2-Methyl-1,3-cyclopentanedione Investigative 13005 C6H8O2 112.13 CC1C(=O)CCC1=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase B43XPK 3-[(1S)-1-(4-Fluorophenyl)-5-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine Investigative 122186486 C28H29FN4O 456.6 CC1=CC=CC=C1C2=NC(=NN2)C3=CC4=C(C=C3)[C@](OC4)(CCCN(C)C)C5=CC=C(C=C5)F IC50 = 99740 nM Poor binder T99799 Cholinesterase B47LEJ 3-{7-[(3-Chlorobenzyl)methylamino]-heptyloxy}xanthen-9-one Investigative 44421933 C28H30ClNO3 464 CN(CCCCCCCOC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)CC4=CC(=CC=C4)Cl IC50 = 63800 nM Poor binder T99799 Cholinesterase B47LSY 6-[(4-Methoxyphenoxy)methyl]-3-(3-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Investigative 3722393 C16H13N5O2S 339.4 COC1=CC=C(C=C1)OCC2=NN3C(=NN=C3S2)C4=CN=CC=C4 IC50 = 55800 nM Poor binder T99799 Cholinesterase B48DRH 1,3-Dihydro-isoindole-2-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester Investigative 23635511 C21H15F3N2O3 400.3 C1C2=CC=CC=C2CN1C(=O)OC3=CC=C(C=C3)OC4=NC=C(C=C4)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B4E3XN 1-Bromo-1,4-diphenylbutane-2,3-dione Investigative 2749125 C16H13BrO2 317.18 C1=CC=C(C=C1)CC(=O)C(=O)C(C2=CC=CC=C2)Br Ki ~ 100000 nM Poor binder T99799 Cholinesterase B4H2QS 2-{4-[(Benzylmethylamino)methyl]benzylidene}-7-methoxy-3,4-dihydro-2H-naphthalen-1-one Investigative 46228811 C27H27NO2 397.5 CN(CC1=CC=CC=C1)CC2=CC=C(C=C2)/C=C/3\\CCC4=C(C3=O)C=C(C=C4)OC IC50 = 135000 nM Poor binder T99799 Cholinesterase B4KJL6 Chembl4285826 Investigative 145992210 C16H18Br2Cl2N4O2 529.1 C1=C[N+](=CC=C1C(=O)N)CCCC[N+]2=CC(=C(C(=C2)Cl)/C=N/O)Cl.[Br-].[Br-] Ki = 140000 nM Poor binder T99799 Cholinesterase B4M7EB Ethanedione, bis[4-(trifluoromethyl)phenyl]- Investigative 599378 C16H8F6O2 346.22 C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase B4N2FS (2R)-2-Benzamido-5-[2-(1-benzylpiperidin-4-yl)ethylamino]-5-oxopentanoic acid Investigative 137635812 C26H33N3O4 451.6 C1CN(CCC1CCNC(=O)CC[C@H](C(=O)O)NC(=O)C2=CC=CC=C2)CC3=CC=CC=C3 IC50 = 82000 nM Poor binder T99799 Cholinesterase B4PH2I Tert-butyl N-[2-(1H-benzimidazol-2-ylamino)ethyl]carbamate Investigative 71723452 C14H20N4O2 276.33 CC(C)(C)OC(=O)NCCNC1=NC2=CC=CC=C2N1 IC50 = 71920 nM Poor binder T99799 Cholinesterase B4R1CN N-Butyl-N-methyl-1H-benzo[d]imidazol-2-amine Investigative 71723451 C12H17N3 203.28 CCCCN(C)C1=NC2=CC=CC=C2N1 IC50 ~ 100000 nM Poor binder T99799 Cholinesterase B4RTA5 1-(4-Bromophenyl)-3-[(E)-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]thiourea Investigative 136260527 C12H10BrN5O2S2 400.3 C1=CC(=CC=C1NC(=S)N/N=C/C2=C(NC(=S)NC2=O)O)Br IC50 = 68410 nM Poor binder T99799 Cholinesterase B4U8NQ 2-(Dimethylamino)ethyl N-(2,6-dichloropyridin-4-yl)carbamate;hydrochloride Investigative 45263698 C10H14Cl3N3O2 314.6 CN(C)CCOC(=O)NC1=CC(=NC(=C1)Cl)Cl.Cl Ki = 174500 nM Poor binder T99799 Cholinesterase B4XL9N (3-(4-Chlorophenyl)-5-(hexylthio)-1H-1,2,4-triazol-1-yl)(morpholino)methanone Investigative 11235216 C19H25ClN4O2S 408.9 CCCCCCSC1=NC(=NN1C(=O)N2CCOCC2)C3=CC=C(C=C3)Cl IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B4YJA8 ((3S,3As,4R,5R,7S,7aR)-3,3a,4-tris(benzyloxy)-7-methoxyhexahydro-2H-furo[2,3-c]pyran-5-yl)methanol Investigative 45482095 C30H34O7 506.6 CO[C@@H]1[C@H]2[C@]([C@H](CO2)OCC3=CC=CC=C3)([C@@H]([C@H](O1)CO)OCC4=CC=CC=C4)OCC5=CC=CC=C5 IC50 = 148000 nM Poor binder T99799 Cholinesterase B4YQ8G (2E,6Z)-2,6-Bis[[4-(dimethylamino)-2-nitrophenyl]methylidene]cyclohexan-1-one Investigative 90645116 C24H26N4O5 450.5 CN(C)C1=CC(=C(C=C1)/C=C/2\\CCC/C(=C/C3=C(C=C(C=C3)N(C)C)[N+](=O)[O-])/C2=O)[N+](=O)[O-] IC50 ~ 100000 nM Poor binder T99799 Cholinesterase B50GUZ Hexadecane-8,9-dione Investigative 10879668 C16H30O2 254.41 CCCCCCCC(=O)C(=O)CCCCCCC Ki ~ 100000 nM Poor binder T99799 Cholinesterase B50HUO Eubotriol Investigative 45269663 C20H32O3 320.5 C[C@@]1(CCC[C@@]2([C@H]1C[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)[C@H]4O)O)C)CO IC50 = 98100 nM Poor binder T99799 Cholinesterase B54MVH 2,2',4,4'-Tetrahydroxybenzil Investigative 219592 C14H10O6 274.22 C1=CC(=C(C=C1O)O)C(=O)C(=O)C2=C(C=C(C=C2)O)O Ki ~ 100000 nM Poor binder T99799 Cholinesterase B57UOM Methyl-m-tolyl-carbamic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester Investigative 23636019 C21H17F3N2O3 402.4 CC1=CC(=CC=C1)N(C)C(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B5ATV9 Ethyl 5-amino-4-biphenyl-4-yl-2-methyl-1,4,6,7,8,9-hexahydrobenzo[b]-1,8-naphthyridine-3-carboxylate Investigative 42618135 C28H29N3O2 439.5 CCOC(=O)C1=C(NC2=NC3=C(CCCC3)C(=C2C1C4=CC=C(C=C4)C5=CC=CC=C5)N)C IC50 ~ 100000 nM Poor binder T99799 Cholinesterase B5CIM2 6-(2-Furyl)-3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Investigative 938070 C12H7N5OS 269.28 C1=COC(=C1)C2=NN3C(=NN=C3S2)C4=CC=NC=C4 IC50 = 61550 nM Poor binder T99799 Cholinesterase B5GU8F 6-Ethyl-1H-indole-2,3-dione Investigative 13827083 C10H9NO2 175.18 CCC1=CC2=C(C=C1)C(=O)C(=O)N2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase B5HAI7 6-(2-Methylfuran-3-yl)-3-(pyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Investigative 52899556 C13H9N5OS 283.31 CC1=C(C=CO1)C2=NN3C(=NN=C3S2)C4=CN=CC=C4 IC50 = 58600 nM Poor binder T99799 Cholinesterase B5J8IO [(1R,3S)-3-(4-Methoxyanilino)cyclohexyl] N,N-dimethylcarbamate Investigative 137647812 C16H24N2O3 292.37 CN(C)C(=O)O[C@@H]1CCC[C@@H](C1)NC2=CC=C(C=C2)OC IC50 = 110000 nM Poor binder T99799 Cholinesterase B5KGP0 5-Bromoisatin Investigative 6889 C8H4BrNO2 226.03 C1=CC2=C(C=C1Br)C(=O)C(=O)N2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase B5L2ZO 3-{[Methyl(7-{[(2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}heptyl)amino]methyl}phenyl methylcarbamate Investigative 11365562 C35H42N2O8 618.7 CNC(=O)OC1=CC=CC(=C1)CN(C)CCCCCCCOC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=C(C(=C4)OC)OC)OC)/O3 IC50 = 136000 nM Poor binder T99799 Cholinesterase B5M7YB [2-[4-[7-[Benzyl(methyl)amino]heptoxy]phenyl]-1-benzofuran-3-yl]-naphthalen-1-ylmethanone Investigative 71456857 C40H39NO3 581.7 CN(CCCCCCCOC1=CC=C(C=C1)C2=C(C3=CC=CC=C3O2)C(=O)C4=CC=CC5=CC=CC=C54)CC6=CC=CC=C6 IC50 = 60100 nM Poor binder T99799 Cholinesterase B5S7NX 1,1'-(Pentane-1,5-diyl)di(pyridin-1-ium) dibromide Investigative 13552226 C15H20Br2N2 388.14 C1=CC=[N+](C=C1)CCCCC[N+]2=CC=CC=C2.[Br-].[Br-] IC50 = 120000 nM Poor binder T99799 Cholinesterase B5T1JY 1,4-Bis(phenylglyoxaloyl)benzene Investigative 137905 C22H14O4 342.3 C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C(=O)C(=O)C3=CC=CC=C3 Ki ~ 100000 nM Poor binder T99799 Cholinesterase B5WN7H 5,6-Dimethoxy-2-[1-(2-nitro-benzyl)-piperidin-4-ylmethyl]-indan-1-one Investigative 10550262 C24H28N2O5 424.5 COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4[N+](=O)[O-])OC IC50 = 91200 nM Poor binder T99799 Cholinesterase B61FAP 1-[(E)-(6-Hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]-3-phenylthiourea Investigative 136260526 C12H11N5O2S2 321.4 C1=CC=C(C=C1)NC(=S)N/N=C/C2=C(NC(=S)NC2=O)O IC50 = 57110 nM Poor binder T99799 Cholinesterase B62CUI (R)-1-((3S,3As,4R,5S,7S,7aR)-3,3a,4-tris(benzyloxy)-7-methoxyhexahydro-2H-furo[2,3-c]pyran-5-yl)prop-2-en-1-ol Investigative 45482098 C32H36O7 532.6 CO[C@@H]1[C@H]2[C@]([C@H](CO2)OCC3=CC=CC=C3)([C@@H]([C@@H](O1)[C@@H](C=C)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5 IC50 = 50000 nM Poor binder T99799 Cholinesterase B62VDR Chembl4283733 Investigative 145990761 C27H27NO3 413.5 CCN(CCOC1=CC=C(C=C1)/C=C/2\\COC3=CC=CC=C3C2=O)CC4=CC=CC=C4 IC50 = 74240 nM Poor binder T99799 Cholinesterase B68CJD 4-[4-(Benzhydryloxy)piperidino]butyl 3-chlorobenzoate Investigative 10277340 C29H32ClNO3 478 C1CN(CCC1OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCCOC(=O)C4=CC(=CC=C4)Cl IC50 = 57870 nM Poor binder T99799 Cholinesterase B68NSC 2-Amino-9-[[(2R)-1-hydroxy-3-[[(2R)-8-methyl-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-2-yl]oxy]propan-2-yl]oxymethyl]-1H-purin-6-one Investigative 137169079 C17H20N5O7P 437.3 CC1=C2C(=CC=C1)CO[P@@](=O)(O2)OC[C@@H](CO)OCN3C=NC4=C3N=C(NC4=O)N IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B69RVP 5-Amino-7-prop-2-ynyl-2-pyrrolidin-1-yl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile Investigative 60144120 C19H20N6 332.4 C#CCN1CCC2=C(C1)C(=C3C=C(C(=NC3=N2)N4CCCC4)C#N)N IC50 = 82000 nM Poor binder T99799 Cholinesterase B6ATU2 2-(4-Methoxyphenyl)-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl)acetamide Investigative 49858100 C22H18N2O4 374.4 COC1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C(=O)C(=O)C3=CC=CC=N3 Ki ~ 100000 nM Poor binder T99799 Cholinesterase B6HUP9 [4-[4-[(2-Oxochromen-7-yl)oxymethyl]triazol-1-yl]phenyl] N-heptylcarbamate Investigative 127043879 C26H28N4O5 476.5 CCCCCCCNC(=O)OC1=CC=C(C=C1)N2C=C(N=N2)COC3=CC4=C(C=C3)C=CC(=O)O4 IC50 = 122000 nM Poor binder T99799 Cholinesterase B6N8DA [4-[2-(3,4-Dimethoxyphenyl)ethylamino]quinazolin-2-yl]urea Investigative 137661164 C19H21N5O3 367.4 COC1=C(C=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)NC(=O)N)OC IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B6NL7B (3Z,5E)-3,5-Bis[(4-pyrrolidin-1-ylphenyl)methylidene]piperidin-4-one Investigative 90645128 C27H31N3O 413.6 C1CCN(C1)C2=CC=C(C=C2)/C=C/3\\CNC/C(=C/C4=CC=C(C=C4)N5CCCC5)/C3=O IC50 ~ 100000 nM Poor binder T99799 Cholinesterase B6UN4Z (2S)-5-[2-(1-Benzylpiperidin-4-yl)ethylamino]-2-[(6-methoxynaphthalene-2-carbonyl)amino]-5-oxopentanoic acid Investigative 137641195 C31H37N3O5 531.6 COC1=CC2=C(C=C1)C=C(C=C2)C(=O)N[C@@H](CCC(=O)NCCC3CCN(CC3)CC4=CC=CC=C4)C(=O)O IC50 = 97000 nM Poor binder T99799 Cholinesterase B6X2HZ 2-Amino-9-[(2R,4S,5R)-4-hydroxy-5-[(8-methyl-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-2-yl]-5H-purin-6-one Investigative 90663111 C18H20N5O7P 449.4 CC1=C2C(=CC=C1)COP(=O)(O2)OC[C@@H]3[C@H](C[C@@H](O3)N4C=NC5C4=NC(=NC5=O)N)O IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B6ZT1B 9-[2-[(2-Oxo-1,4-dihydro-3,1,2$l^{5}-benzoxazaphosphinin-2-yl)methoxy]ethyl]purin-6-amine Investigative 11314386 C15H17N6O3P 360.31 C1C2=CC=CC=C2NP(=O)(O1)COCCN3C=NC4=C(N=CN=C43)N IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B78MBF 2-[4-[(3,4-Dimethoxyphenyl)methylamino]quinazolin-2-yl]acetamide Investigative 137661668 C19H20N4O3 352.4 COC1=C(C=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)CC(=O)N)OC IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B79TLJ 4-Methoxyphenyl phenothiazin-10-yl ketone Investigative 1237217 C20H15NO2S 333.4 COC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 IC50 = 53000 nM Poor binder T99799 Cholinesterase B79VTS N-Ethyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride Investigative 52940841 C16H21ClN2O 292.8 CCNC1=C2CCCCC2=NC3=C1C=C(C=C3)OC.Cl IC50 = 97000 nM Poor binder T99799 Cholinesterase B7C2WL [4-[(3,4-Dimethoxyphenyl)methylamino]quinazolin-2-yl]urea Investigative 137637732 C18H19N5O3 353.4 COC1=C(C=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)NC(=O)N)OC IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B7E4JV 6-[(4-Fluorophenoxy)methyl]-3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Investigative 1816914 C15H10FN5OS 327.3 C1=CC(=CC=C1OCC2=NN3C(=NN=C3S2)C4=CC=NC=C4)F IC50 = 54090 nM Poor binder T99799 Cholinesterase B7ETD0 3-[(1S)-1-(4-Fluorophenyl)-5-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine Investigative 122186382 C27H26FN5O3 487.5 CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C3=NC(=NN3)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=C(C=C5)F IC50 = 105230 nM Poor binder T99799 Cholinesterase B7GL9R Methyl-phenyl-carbamic Acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl Ester Investigative 10150601 C20H15F3N2O3 388.3 CN(C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B7I6WK 2,4-Dichloro-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl)benzamide Investigative 49857726 C20H12Cl2N2O3 399.2 C1=CC=NC(=C1)C(=O)C(=O)C2=CC(=CC=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl Ki ~ 100000 nM Poor binder T99799 Cholinesterase B7J3FI 3-Methylcyclohexane-1,2-dione Investigative 3321360 C7H10O2 126.15 CC1CCCC(=O)C1=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase B7KQB8 1-Chloro-2,3-indoledione Investigative 137777 C8H4ClNO2 181.57 C1=CC=C2C(=C1)C(=O)C(=O)N2Cl Ki ~ 100000 nM Poor binder T99799 Cholinesterase B7SM2T Ethyl 5-amino-4-(3,4-dimethoxyphenyl)-2-methyl-1,4,6,7,8,9-hexahydrobenzo[b][1,8]naphthyridine-3-carboxylate Investigative 42618136 C24H29N3O4 423.5 CCOC(=O)C1=C(NC2=NC3=C(CCCC3)C(=C2C1C4=CC(=C(C=C4)OC)OC)N)C IC50 ~ 100000 nM Poor binder T99799 Cholinesterase B7UG8H 2-Amino-9-[2-[(8-methyl-2-oxo-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-yl)oxy]ethoxymethyl]-1H-purin-6-one Investigative 135531254 C16H18N5O6P 407.32 CC1=C2C(=CC=C1)COP(=O)(O2)OCCOCN3C=NC4=C3N=C(NC4=O)N IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B7VU6A (3Z,5E)-3,5-Bis[(4-pyrrolidin-1-ylphenyl)methylidene]oxan-4-one Investigative 90645127 C27H30N2O2 414.5 C1CCN(C1)C2=CC=C(C=C2)/C=C/3\\COC/C(=C/C4=CC=C(C=C4)N5CCCC5)/C3=O IC50 ~ 100000 nM Poor binder T99799 Cholinesterase B82ACF 1,2-Bis(4-nitrophenyl)ethane-1,2-dione Investigative 1812008 C14H8N2O6 300.22 C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] Ki ~ 100000 nM Poor binder T99799 Cholinesterase B82XPD N-(2-Methoxyethyl)-1H-1,3-benzodiazol-2-amine Investigative 16653132 C10H13N3O 191.23 COCCNC1=NC2=CC=CC=C2N1 IC50 ~ 100000 nM Poor binder T99799 Cholinesterase B86DMR 1-(4-Methyl-3-nitrophenyl)-2-phenylethane-1,2-dione Investigative 4384851 C15H11NO4 269.25 CC1=C(C=C(C=C1)C(=O)C(=O)C2=CC=CC=C2)[N+](=O)[O-] Ki ~ 100000 nM Poor binder T99799 Cholinesterase B87JAL 1,2-Pentanedione, 1-phenyl- Investigative 10899196 C11H12O2 176.21 CCCC(=O)C(=O)C1=CC=CC=C1 Ki ~ 100000 nM Poor binder T99799 Cholinesterase B8A5GT N-Butyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride Investigative 52948054 C18H25ClN2O 320.9 CCCCNC1=C2CCCCC2=NC3=C1C=C(C=C3)OC.Cl IC50 = 64000 nM Poor binder T99799 Cholinesterase B8AKN4 Benzophenone Investigative 3102 C13H10O 182.22 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase B8BHN6 Chembl4277895 Investigative 145979348 C16H16Br2Cl2N4O2 527 C1=C[N+](=CC=C1C(=O)N)C/C=C/C[N+]2=CC(=C(C(=C2)Cl)/C=N/O)Cl.[Br-].[Br-] Ki = 187000 nM Poor binder T99799 Cholinesterase B8E3GD 3-[(1S)-5-[5-(2-Bromophenyl)-1H-1,2,4-triazol-3-yl]-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine Investigative 122186495 C27H26BrFN4O 521.4 CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C3=NNC(=N3)C4=CC=CC=C4Br)C5=CC=C(C=C5)F IC50 = 140930 nM Poor binder T99799 Cholinesterase B8F9JK 2-(Dimethylamino)propyl 4-[[4,6-bis[4-[2-(dimethylamino)propoxycarbonyl]phenoxy]-1,3,5-triazin-2-yl]oxy]benzoate Investigative 127034570 C39H48N6O9 744.8 CC(COC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=N2)OC3=CC=C(C=C3)C(=O)OCC(C)N(C)C)OC4=CC=C(C=C4)C(=O)OCC(C)N(C)C)N(C)C IC50 = 163800 nM Poor binder T99799 Cholinesterase B8FMS1 N-[4-(2-Phenylethylamino)quinazolin-2-yl]acetamide Investigative 137648030 C18H18N4O 306.4 CC(=O)NC1=NC2=CC=CC=C2C(=N1)NCCC3=CC=CC=C3 IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B8G2RH 1-[1-(3-Methoxyphenyl)triazol-4-yl]cyclohexan-1-ol Investigative 90643472 C15H19N3O2 273.33 COC1=CC=CC(=C1)N2C=C(N=N2)C3(CCCCC3)O IC50 = 83300 nM Poor binder T99799 Cholinesterase B8GM0U 1-[(E)-(2,4-Dihydroxyphenyl)methylideneamino]-3-pyridin-4-ylurea Investigative 136244480 C13H12N4O3 272.26 C1=CC(=C(C=C1O)O)/C=N/NC(=O)NC2=CC=NC=C2 IC50 = 58250 nM Poor binder T99799 Cholinesterase B8JS2Q (2R,3S,4S,5R)-4-Phenylmethoxy-2-prop-2-enylpiperidine-3,5-diol Investigative 118725588 C15H21NO3 263.33 C=CC[C@@H]1[C@@H]([C@H]([C@@H](CN1)O)OCC2=CC=CC=C2)O IC50 = 61000 nM Poor binder T99799 Cholinesterase B8LKE2 N-[4-(Benzylamino)quinazolin-2-yl]acetamide Investigative 137637059 C17H16N4O 292.33 CC(=O)NC1=NC2=CC=CC=C2C(=N1)NCC3=CC=CC=C3 IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B8OPY9 1,2-Bis[3,5-bis(trifluoromethyl)phenyl]-ethane-1,2-dione Investigative 44428843 C18H6F12O2 482.2 C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase B8QJU9 1-[6-(Pyridin-1-ium-1-yl)hexyl]pyridin-1-ium dibromide Investigative 3041340 C16H22Br2N2 402.2 C1=CC=[N+](C=C1)CCCCCC[N+]2=CC=CC=C2.[Br-].[Br-] IC50 = 130000 nM Poor binder T99799 Cholinesterase B8T3PA 3-Methoxy-6,7-dihydro-5h-benzo[6,7]cyclohepta[1,2-b]quinolin-8-amine Investigative 402665 C19H18N2O 290.4 COC1=CC2=C(C=C1)C3=NC4=CC=CC=C4C(=C3CCC2)N IC50 ~ 100000 nM Poor binder T99799 Cholinesterase B8TL7V 9-[2-[(5-Fluoro-2-oxo-1,4-dihydro-3,1,2$l^{5}-benzoxazaphosphinin-2-yl)methoxy]ethyl]purin-6-amine Investigative 11595988 C15H16FN6O3P 378.3 C1C2=C(C=CC=C2F)NP(=O)(O1)COCCN3C=NC4=C(N=CN=C43)N IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B8V2YR (1S)-(+)-Camphorquinone Investigative 12222796 C10H14O2 166.22 C[C@]12CC[C@@H](C1(C)C)C(=O)C2=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase B8WCZ2 (2-{4-[7-(Benzylmethylamino)heptyloxy]phenyl}benzofuran-3-yl)-(3,4-dimethoxyphenyl)-methanone Investigative 24865363 C38H41NO5 591.7 CN(CCCCCCCOC1=CC=C(C=C1)C2=C(C3=CC=CC=C3O2)C(=O)C4=CC(=C(C=C4)OC)OC)CC5=CC=CC=C5 IC50 = 74100 nM Poor binder T99799 Cholinesterase B8XJT2 (2E)-1-(4-Aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one Investigative 6145899 C16H15NO2 253.29 COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)N IC50 = 119000 nM Poor binder T99799 Cholinesterase B8YQ9D 2-Methylcyclohexane-1,3-dione Investigative 70945 C7H10O2 126.15 CC1C(=O)CCCC1=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase B90KJX N-[(1-Prop-2-ynylpiperidin-4-yl)methyl]naphthalene-2-carboxamide Investigative 134157232 C20H22N2O 306.4 C#CCN1CCC(CC1)CNC(=O)C2=CC3=CC=CC=C3C=C2 IC50 = 54396 nM Poor binder T99799 Cholinesterase B95IUG 1-{[(4-Chlorophenyl)amino]methyl}-1H-indole-2,3-dione Investigative 2147394 C15H11ClN2O2 286.71 C1=CC=C2C(=C1)C(=O)C(=O)N2CNC3=CC=C(C=C3)Cl Ki ~ 100000 nM Poor binder T99799 Cholinesterase B95YDX Anthracen-9-yl-[2-[4-[7-[benzyl(methyl)amino]heptoxy]phenyl]-1-benzofuran-3-yl]methanone Investigative 71458714 C44H41NO3 631.8 CN(CCCCCCCOC1=CC=C(C=C1)C2=C(C3=CC=CC=C3O2)C(=O)C4=C5C=CC=CC5=CC6=CC=CC=C64)CC7=CC=CC=C7 IC50 = 81200 nM Poor binder T99799 Cholinesterase B96AJY 2-[2-(2-Isoquinolin-2-ium-2-ylethoxy)ethyl]isoquinolin-2-ium;dibromide Investigative 21204337 C22H22Br2N2O 490.2 C1=CC=C2C=[N+](C=CC2=C1)CCOCC[N+]3=CC4=CC=CC=C4C=C3.[Br-].[Br-] IC50 = 51000 nM Poor binder T99799 Cholinesterase B96UHM Heptaphylline Investigative 5318015 C18H17NO2 279.3 CC(=CCC1=C(C(=CC2=C1NC3=CC=CC=C32)C=O)O)C IC50 ~ 100000 nM Poor binder T99799 Cholinesterase B9CQ2G 6,7-Dimethoxy-3-(4-{[(2-methoxybenzyl)methylamino]methyl}phenyl)chromen-2-one Investigative 44427478 C27H27NO5 445.5 CN(CC1=CC=C(C=C1)C2=CC3=CC(=C(C=C3OC2=O)OC)OC)CC4=CC=CC=C4OC IC50 = 52900 nM Poor binder T99799 Cholinesterase B9GF4U 2-[2-(4-Nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol Investigative 2728673 C21H16N2O3S 376.4 C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3O)C4=CC=C(C=C4)[N+](=O)[O-] IC50 = 57000 nM Poor binder T99799 Cholinesterase B9GJ6K (2E)-2-[[4-(Dimethylamino)-2-nitrophenyl]methylidene]-3,4-dihydronaphthalen-1-one Investigative 90645124 C19H18N2O3 322.4 CN(C)C1=CC(=C(C=C1)/C=C/2\\CCC3=CC=CC=C3C2=O)[N+](=O)[O-] IC50 ~ 100000 nM Poor binder T99799 Cholinesterase B9HYC6 [(1S,9S)-1-Methyl-8,10-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl] N-(2-methylphenyl)carbamate Investigative 11631221 C19H19NO4 325.4 CC1=CC=CC=C1NC(=O)OC2=CC3=C(C=C2)O[C@H]4C[C@@]3(CO4)C IC50 = 52000 nM Poor binder T99799 Cholinesterase B9J8IZ Pyrrolidine-1-carboxylic acid 4-(3,5-dichloropyridin-2-yloxy)-phenyl ester Investigative 23635768 C16H14Cl2N2O3 353.2 C1CCN(C1)C(=O)OC2=CC=C(C=C2)OC3=C(C=C(C=N3)Cl)Cl IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B9KB1T 4,5-Octanedione Investigative 138508 C8H14O2 142.2 CCCC(=O)C(=O)CCC Ki ~ 100000 nM Poor binder T99799 Cholinesterase B9KG2P Methyl-phenyl-carbamic acid 4-(3-chloro-5-trifluoromethylpyridin-2-yloxy)-phenyl Investigative 10287897 C20H14ClF3N2O3 422.8 CN(C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B9MHI6 4-[3-[(1S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-yl]-1H-1,2,4-triazol-5-yl]aniline Investigative 122186377 C27H28FN5O 457.5 CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C3=NNC(=N3)C4=CC=C(C=C4)N)C5=CC=C(C=C5)F IC50 = 119210 nM Poor binder T99799 Cholinesterase B9QHV2 2-(3-Fluoro-4-phenylphenyl)-N-[3-[[4-[3-[2-(3-fluoro-4-phenylphenyl)propanoylamino]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]propanamide Investigative 25221268 C42H42F2N4O4 704.8 CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)NCCCNC3=CC(=O)C(=CC3=O)NCCCNC(=O)C(C)C4=CC(=C(C=C4)C5=CC=CC=C5)F IC50 = 116000 nM Poor binder T99799 Cholinesterase B9RB0U 9-[2-Cyclosal-phosphonylmethoxyethyl]adenine Investigative 11682017 C15H16N5O4P 361.29 C1C2=CC=CC=C2OP(=O)(O1)COCCN3C=NC4=C(N=CN=C43)N IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B9RP0T 1,7-Bis(pyridinium)-heptane dibromide Investigative 46880955 C17H24Br2N2 416.2 C1=CC=[N+](C=C1)CCCCCCC[N+]2=CC=CC=C2.[Br-].[Br-] IC50 = 78000 nM Poor binder T99799 Cholinesterase B9TJ8V 1-Thiomorpholin-4-ylmethyl-1H-indole-2,3-dione Investigative 3531512 C13H14N2O2S 262.33 C1CSCCN1CN2C3=CC=CC=C3C(=O)C2=O Ki = 98900 nM Poor binder T99799 Cholinesterase B9UN6S 2-[4-(Benzylamino)quinazolin-2-yl]acetamide Investigative 137641257 C17H16N4O 292.33 C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)CC(=O)N IC50 ~ 50000 nM Poor binder T99799 Cholinesterase B9WFK4 N-[2-[3-[(4-Methoxyphenyl)methoxy]-5-nitroindazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine Investigative 76328791 C23H30N4O4 426.5 CC(C)N(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)OCC3=CC=C(C=C3)OC)C(C)C IC50 ~ 100000 nM Poor binder T99799 Cholinesterase B9Z4WO 6-Naphthalen-1-yl-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine Investigative 90654795 C19H13N5S 343.4 C1C(=NN2C(=NN=C2S1)C3=CC=NC=C3)C4=CC=CC5=CC=CC=C54 IC50 = 52760 nM Poor binder T99799 Cholinesterase B9ZJ3R N-(4-{4-[(Benzylmethylamino)methyl]benzoyl}phenyl)-2-piperidin-1-yl-acetamide Investigative 53231342 C29H33N3O2 455.6 CN(CC1=CC=CC=C1)CC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)NC(=O)CN4CCCCC4 IC50 = 145000 nM Poor binder T99799 Cholinesterase B9ZX3Q N-[4-[2-(3,4-Dimethoxyphenyl)ethylamino]quinazolin-2-yl]acetamide Investigative 137634711 C20H22N4O3 366.4 CC(=O)NC1=NC2=CC=CC=C2C(=N1)NCCC3=CC(=C(C=C3)OC)OC IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BA0F7G 3-[2-[[5-(5-Methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-8-yl]propanoic acid Investigative 44328595 C20H21N2O9P 464.4 CC1=CN(C(=O)NC1=O)C2C=CC(O2)COP3(=O)OCC4=C(O3)C(=CC=C4)CCC(=O)O IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BA0G8I 6,7-Dodecanedione Investigative 26257 C12H22O2 198.3 CCCCCC(=O)C(=O)CCCCC Ki ~ 100000 nM Poor binder T99799 Cholinesterase BA8FT5 1-(2-Chloroacetyl)indole-2,3-dione Investigative 4350924 C10H6ClNO3 223.61 C1=CC=C2C(=C1)C(=O)C(=O)N2C(=O)CCl Ki ~ 100000 nM Poor binder T99799 Cholinesterase BAG3V4 Morpholine-4-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester Investigative 23635512 C17H15F3N2O4 368.31 C1COCCN1C(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BAI8S6 1,2-Bis[2,4-bis(trifluoromethyl)phenyl]ethane-1,2-dione Investigative 44428842 C18H6F12O2 482.2 C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)C(=O)C2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase BAL0F4 (3-Chloro-phenyl)-methyl-carbamic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester Investigative 23636020 C20H14ClF3N2O3 422.8 CN(C1=CC(=CC=C1)Cl)C(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BAM80F 1,3-Cyclohexanedione Investigative 10434 C6H8O2 112.13 C1CC(=O)CC(=O)C1 Ki ~ 100000 nM Poor binder T99799 Cholinesterase BAP71N 6-[(2-Methylphenoxy)methyl]-3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Investigative 1234089 C16H13N5OS 323.4 CC1=CC=CC=C1OCC2=NN3C(=NN=C3S2)C4=CC=NC=C4 IC50 = 51340 nM Poor binder T99799 Cholinesterase BB30NZ {4-[(Benzylethylamino)methyl]phenyl}-(3,4-dimethoxyphenyl)methanone Investigative 42598042 C25H27NO3 389.5 CCN(CC1=CC=CC=C1)CC2=CC=C(C=C2)C(=O)C3=CC(=C(C=C3)OC)OC IC50 = 71500 nM Poor binder T99799 Cholinesterase BBHN34 Phenyl-1,2-Octanedione Investigative 13780062 C14H18O2 218.29 CCCCCCC(=O)C(=O)C1=CC=CC=C1 Ki ~ 100000 nM Poor binder T99799 Cholinesterase BBO74D 4-(5-(Trifluoromethyl)pyridin-2-ylamino)phenyl methyl(phenyl)carbamate Investigative 10126521 C20H16F3N3O2 387.4 CN(C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)NC3=NC=C(C=C3)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BBPH29 Chembl95497 Investigative 90663114 C19H22BrN2O8P 517.299 CC1=C2C(=CC=C1)COP(=O)(O2)OC[C@@H]3[C@H](C[C@@H](O3)N4CC(C(=O)NC4=O)/C=C/Br)O IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BBV95T (2S)-5-[2-(1-Benzylpiperidin-4-yl)ethylamino]-2-(1H-indole-3-carbonylamino)-5-oxopentanoic acid Investigative 137644072 C28H34N4O4 490.6 C1CN(CCC1CCNC(=O)CC[C@@H](C(=O)O)NC(=O)C2=CNC3=CC=CC=C32)CC4=CC=CC=C4 IC50 = 71000 nM Poor binder T99799 Cholinesterase BC2S1J 2-[(E)-3-(4-Pyrrolidin-1-ylphenyl)prop-2-enoyl]-3,4-dihydro-2H-naphthalen-1-one Investigative 90645133 C23H23NO2 345.4 C1CCN(C1)C2=CC=C(C=C2)/C=C/C(=O)C3CCC4=CC=CC=C4C3=O IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BC37MA 5-Bromo-1-(2-methylallyl)indoline-2,3-dione Investigative 1755771 C12H10BrNO2 280.12 CC(=C)CN1C2=C(C=C(C=C2)Br)C(=O)C1=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase BC6TA4 2-Hydroxychalcone Investigative 5367146 C15H12O2 224.25 C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2O IC50 = 105000 nM Poor binder T99799 Cholinesterase BC91TJ (2E,5E)-2,5-Bis[[4-(dimethylamino)-2-nitrophenyl]methylidene]cyclopentan-1-one Investigative 90645122 C23H24N4O5 436.5 CN(C1=CC(=C(C=C1)/C=C\\2/C(=O)/C(=C/C3=C(C=C(C=C3)N(C)C)[N+](=O)[O-])/CC2)[N+](=O)[O-])C IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BCD0G9 3-[(1S)-1-(4-Fluorophenyl)-5-(5-phenyl-1H-1,2,4-triazol-3-yl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine Investigative 122186374 C27H27FN4O 442.5 CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C3=NNC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)F IC50 = 128740 nM Poor binder T99799 Cholinesterase BCHM83 {4-[(Benzylmethylamino)methyl]phenyl}-(3-fluoro-4-methoxyphenyl)methanone Investigative 42598275 C23H22FNO2 363.4 CN(CC1=CC=CC=C1)CC2=CC=C(C=C2)C(=O)C3=CC(=C(C=C3)OC)F IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BCI7P4 5-Methyl-1-[5-[(8-methyl-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-2-yl)oxymethyl]-4-oxooxolan-2-yl]pyrimidine-2,4-dione Investigative 44328735 C18H19N2O8P 422.3 CC1=C2C(=CC=C1)COP(=O)(O2)OCC3C(=O)CC(O3)N4C=C(C(=O)NC4=O)C IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BCZ5X1 (2-Methoxy-phenyl)-methyl-carbamic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester Investigative 23636021 C21H17F3N2O4 418.4 CN(C1=CC=CC=C1OC)C(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BD0CK7 2-Hydroxy-1,2-bis(4-methoxyphenyl)ethanone Investigative 95415 C16H16O4 272.29 COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)O Ki ~ 100000 nM Poor binder T99799 Cholinesterase BD0V8H 5-Fluoro-1-[(2R,4S,5R)-4-hydroxy-5-[(8-methyl-2-oxo-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-yl)oxymethyl]tetrahydrofuran-2-yl]pyrimidine-2,4-dione Investigative 513225 C17H18FN2O8P 428.3 CC1=C2C(=CC=C1)COP(=O)(O2)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)F)O IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BD38HA Chembl4283390 Investigative 145990749 C31H44N2O2 476.7 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/C(=O)NCCC2CCN(CC2)CC3=CC=CC=C3 IC50 = 84810 nM Poor binder T99799 Cholinesterase BD3F8R 3-{[(7-{[(2Z)-2-[(3,4-Dichlorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}heptyl)(methyl)amino]methyl}phenyl N-methylcarbamate Investigative 11478903 C32H34Cl2N2O5 597.5 CNC(=O)OC1=CC=CC(=C1)CN(C)CCCCCCCOC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=C(C=C4)Cl)Cl)/O3 IC50 = 94600 nM Poor binder T99799 Cholinesterase BD67IK 2-(4-(Hydroxy(oxido)amino)phenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine Investigative 321195 C21H16N2O2S 360.4 C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-] IC50 = 60000 nM Poor binder T99799 Cholinesterase BDI72N 2,3-Dihydro-indole-1-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester Investigative 23635894 C21H15F3N2O3 400.3 C1CN(C2=CC=CC=C21)C(=O)OC3=CC=C(C=C3)OC4=NC=C(C=C4)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BDK6Q5 9-[2-[(8-Tert-butyl-2-oxo-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-yl)methoxy]ethyl]purin-6-amine Investigative 11668852 C19H24N5O4P 417.4 CC(C)(C)C1=CC=CC2=C1OP(=O)(OC2)COCCN3C=NC4=C(N=CN=C43)N IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BDN3B2 4-Methyl-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl)benzamide Investigative 49857908 C21H16N2O3 344.4 CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)C(=O)C3=CC=CC=N3 Ki ~ 100000 nM Poor binder T99799 Cholinesterase BDP08M Ethanol, 2-[bis[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]amino]- Investigative 2755571 C14H23N5O 277.37 CC1=CC(=NN1C)CN(CCO)CC2=NN(C(=C2)C)C IC50 = 68000 nM Poor binder T99799 Cholinesterase BDR4Q5 7-Methoxy-1-(3-methylbut-2-enyl)-3-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyliminomethyl]-9H-carbazol-2-ol Investigative 136264469 C37H42N4O2 574.8 CC(=CCC1=C(C(=CC2=C1NC3=C2C=CC(=C3)OC)C=NCCCCCNC4=C5CCCCC5=NC6=CC=CC=C64)O)C IC50 = 52140 nM Poor binder T99799 Cholinesterase BDX43Y 6-[(4-Ethoxyphenyl)methyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Investigative 118715683 C17H15N5OS 337.4 CCOC1=CC=C(C=C1)CC2=NN3C(=NN=C3S2)C4=CN=CC=C4 IC50 = 70700 nM Poor binder T99799 Cholinesterase BE1TD5 (3Z,5E)-1-Benzyl-3,5-bis[[4-(dimethylamino)-2-nitrophenyl]methylidene]piperidin-4-one Investigative 90645120 C30H31N5O5 541.6 CN(C)C1=CC(=C(C=C1)/C=C/2\\CN(C/C(=C/C3=C(C=C(C=C3)N(C)C)[N+](=O)[O-])/C2=O)CC4=CC=CC=C4)[N+](=O)[O-] IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BE36OQ Chembl4176034 Investigative 145971450 C19H23N5S 353.5 CN(C)C1=CC=C(C=C1)C2C3=C(C4=C(CCCC4)N=C3NC(=S)N2)N IC50 = 154000 nM Poor binder T99799 Cholinesterase BE5X7I 2,2-Dimethyl-3-[methyl(methylsulfanyl)phosphoryl]oxybutane Investigative 13497076 C8H19O2PS 210.28 CC(C(C)(C)C)OP(=O)(C)SC IC50 = 150000 nM Poor binder T99799 Cholinesterase BE7KQ3 3-{[Methyl(3-{[(2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}propyl)amino]methyl}phenyl methylcarbamate Investigative 11272989 C31H34N2O8 562.6 CNC(=O)OC1=CC=CC(=C1)CN(C)CCCOC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=C(C(=C4)OC)OC)OC)/O3 IC50 = 155000 nM Poor binder T99799 Cholinesterase BE9P1U (E)-1-[4-[6-(Dibutylamino)hexoxy]phenyl]-3-phenylprop-2-en-1-one Investigative 118715725 C29H41NO2 435.6 CCCCN(CCCC)CCCCCCOC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2 IC50 = 75090 nM Poor binder T99799 Cholinesterase BEA1B4 2-(Isoquinolin-2-ium-2-ylmethoxymethyl)isoquinolin-2-ium;dichloride Investigative 51042596 C20H18Cl2N2O 373.3 C1=CC=C2C=[N+](C=CC2=C1)COC[N+]3=CC4=CC=CC=C4C=C3.[Cl-].[Cl-] IC50 = 154000 nM Poor binder T99799 Cholinesterase BEL5G2 3-[(1S)-1-(4-Fluorophenyl)-5-[3-(3-iodophenyl)-1H-1,2,4-triazol-5-yl]-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine Investigative 122186499 C27H26FIN4O 568.4 CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C3=NC(=NN3)C4=CC(=CC=C4)I)C5=CC=C(C=C5)F IC50 = 187540 nM Poor binder T99799 Cholinesterase BEW02D 9-[2-[(8-Methyl-2-oxo-1,4-dihydro-3,1,2$l^{5}-benzoxazaphosphinin-2-yl)methoxy]ethyl]purin-6-amine Investigative 11667904 C16H19N6O3P 374.33 CC1=C2C(=CC=C1)COP(=O)(N2)COCCN3C=NC4=C(N=CN=C43)N IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BEX15Z 2-(2,3-Dioxo-2,3-dihydro-1H-indol-1-yl)-N-(4-hydroxyphenyl)acetamide Investigative 3329233 C16H12N2O4 296.28 C1=CC=C2C(=C1)C(=O)C(=O)N2CC(=O)NC3=CC=C(C=C3)O Ki ~ 100000 nM Poor binder T99799 Cholinesterase BF2H4A N-(1-Bromobut-3-en-2-yl)-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine Investigative 57391125 C18H21BrN2O 361.3 COC1=CC2=C(C=C1)N=C3CCCCC3=C2NC(CBr)C=C IC50 = 78800 nM Poor binder T99799 Cholinesterase BF4KX7 1,2-Bis[4-(trifluoromethyl)phenyl]-2-hydroxyethanone Investigative 15044210 C16H10F6O2 348.24 C1=CC(=CC=C1C(C(=O)C2=CC=C(C=C2)C(F)(F)F)O)C(F)(F)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase BFC5Y4 [3-[[Methyl-[7-[[(2Z)-2-(naphthalen-2-ylmethylidene)-3-oxo-1-benzofuran-6-yl]oxy]heptyl]amino]methyl]phenyl] propanoate Investigative 44398566 C37H39NO5 577.7 CCC(=O)OC1=CC=CC(=C1)CN(C)CCCCCCCOC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC5=CC=CC=C5C=C4)/O3 IC50 = 74800 nM Poor binder T99799 Cholinesterase BFHQ04 (1E,4E)-1,5-Bis[4-(diethoxymethyl)phenyl]penta-1,4-dien-3-one Investigative 90645111 C27H34O5 438.6 CCOC(OCC)C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=C(C=C2)C(OCC)OCC IC50 = 88930 nM Poor binder T99799 Cholinesterase BFN7K3 Ethyl-phenyl-carbamic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester Investigative 44435121 C22H19F3N2O3 416.4 CCN(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BFSB13 2-{4-[(Benzylmethylamino)methyl]phenyl}-6-methoxychromen-4-one Investigative 44427491 C25H23NO3 385.5 CN(CC1=CC=CC=C1)CC2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C=CC(=C4)OC IC50 = 88900 nM Poor binder T99799 Cholinesterase BG0LJ7 3-[5-[(1S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-yl]-1H-1,2,4-triazol-3-yl]phenol Investigative 122186379 C27H27FN4O2 458.5 CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C3=NC(=NN3)C4=CC(=CC=C4)O)C5=CC=C(C=C5)F IC50 = 118540 nM Poor binder T99799 Cholinesterase BG2KS1 4-Tert-butyl-1-[3-(4-tert-butylpyridin-1-ium-1-yl)propyl]pyridin-1-ium;dibromide Investigative 14735915 C21H32Br2N2 472.3 CC(C)(C)C1=CC=[N+](C=C1)CCC[N+]2=CC=C(C=C2)C(C)(C)C.[Br-].[Br-] IC50 = 53000 nM Poor binder T99799 Cholinesterase BG3XB8 S1,S2-Diphenyl Ethane Bis Thioate Investigative 18471933 C14H10O2S2 274.4 C1=CC=C(C=C1)SC(=O)C(=O)SC2=CC=CC=C2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase BG40ZP {4-[(Benzylmethylamino)methyl]phenyl}-(4-methoxyphenyl)methanone Investigative 42598737 C23H23NO2 345.4 CN(CC1=CC=CC=C1)CC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)OC IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BG45ZF 2-(4-Methylphenyl)-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-4-amine Investigative 56933912 C18H18N2O 278.3 CC1=CC=C(C=C1)C2=CC3=C(C4=C(CCCC4)N=C3O2)N IC50 = 119000 nM Poor binder T99799 Cholinesterase BG5U7D 5-Methoxyisatin Investigative 38333 C9H7NO3 177.16 COC1=CC2=C(C=C1)NC(=O)C2=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase BGE1J7 2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-methoxy-3,4-dihydro-2H-naphthalen-1-one Investigative 46228810 C27H27NO2 397.5 CN(CC1=CC=CC=C1)CC2=CC=C(C=C2)/C=C/3\\CCC4=C(C3=O)C=CC(=C4)OC IC50 = 90300 nM Poor binder T99799 Cholinesterase BGE74J (4-Chloro-phenyl)-methyl-carbamic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester Investigative 10310052 C20H14ClF3N2O3 422.8 CN(C1=CC=C(C=C1)Cl)C(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BGE7N8 (3Z,5E)-1-Benzyl-3,5-bis[(4-pyrrolidin-1-ylphenyl)methylidene]piperidin-4-one Investigative 90645130 C34H37N3O 503.7 C1CCN(C1)C2=CC=C(C=C2)/C=C/3\\CN(C/C(=C/C4=CC=C(C=C4)N5CCCC5)/C3=O)CC6=CC=CC=C6 IC50 = 56920 nM Poor binder T99799 Cholinesterase BGL8Q0 [2-[4-[7-[Benzyl(methyl)amino]heptoxy]phenyl]-1-benzofuran-3-yl]-naphthalen-2-ylmethanone Investigative 71456858 C40H39NO3 581.7 CN(CCCCCCCOC1=CC=C(C=C1)C2=C(C3=CC=CC=C3O2)C(=O)C4=CC5=CC=CC=C5C=C4)CC6=CC=CC=C6 IC50 = 89100 nM Poor binder T99799 Cholinesterase BGN8R0 Methyl-phenyl-carbamic acid 4-phenoxyphenyl ester Investigative 10308583 C20H17NO3 319.4 CN(C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)OC3=CC=CC=C3 IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BGQ53W 1,2-Cyclohexanedione Investigative 13006 C6H8O2 112.13 C1CCC(=O)C(=O)C1 Ki ~ 100000 nM Poor binder T99799 Cholinesterase BHCJ10 4-Tert-Butyl-N-[4-(5-methoxy-2-oxo-[1,3,4]oxadiazol-3-yl)-phenyl]-benzamide Investigative 10109540 C20H21N3O4 367.4 CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C(=O)OC(=N3)OC IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BHI35G 4-Benzoyl-piperidine-1-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester Investigative 23636023 C25H21F3N2O4 470.4 C1CN(CCC1C(=O)C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)OC4=NC=C(C=C4)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BHJT03 4-Fluoro-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl)benzamide Investigative 49858101 C20H13FN2O3 348.3 C1=CC=NC(=C1)C(=O)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase BHL42N 1-[(Naphthalen-2-ylamino)methyl]-2,3-dihydro-1H-indole-2,3-dione Investigative 2731126 C19H14N2O2 302.3 C1=CC=C2C=C(C=CC2=C1)NCN3C4=CC=CC=C4C(=O)C3=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase BHP90I 1-Phenylhexane-1,2-dione Investigative 11805526 C12H14O2 190.24 CCCCC(=O)C(=O)C1=CC=CC=C1 Ki ~ 100000 nM Poor binder T99799 Cholinesterase BHR1I8 Ethyl 2-[5-chloro-2-[[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-4-yl]acetate Investigative 44328853 C21H22ClN2O9P 512.799 CCOC(=O)CC1C2=C(C=CC=C2Cl)OP(=O)(O1)OCC3C=CC(O3)N4C=C(C(=O)NC4=O)C IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BHR8T3 4-[4-(Benzhydryloxy)piperidino]butyl-4-(tert-butyl)benzoate Investigative 10300579 C33H41NO3 499.7 CC(C)(C)C1=CC=C(C=C1)C(=O)OCCCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4 IC50 = 78920 nM Poor binder T99799 Cholinesterase BHWI39 (2E)-2-[[4-(Diethoxymethyl)phenyl]methylidene]-3H-inden-1-one Investigative 90645113 C21H22O3 322.4 CCOC(C1=CC=C(C=C1)/C=C/2\\CC3=CC=CC=C3C2=O)OCC IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BI3XB2 Methyl-phenyl-carbamic acid 4-(5-chloropyridin-2-yloxy)-phenyl ester Investigative 23635399 C19H15ClN2O3 354.8 CN(C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)Cl IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BI8K1S 2-[(E)-3-[4-(Diethoxymethyl)phenyl]prop-2-enoyl]-3,4-dihydro-2H-naphthalen-1-one Investigative 90645115 C24H26O4 378.5 CCOC(C1=CC=C(C=C1)/C=C/C(=O)C2CCC3=CC=CC=C3C2=O)OCC IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BI9DM4 5-Methyl-1-[(2R,5S)-5-[[(2R)-8-methyl-2-oxo-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione Investigative 9574537 C18H19N2O7P 406.3 CC1=C2C(=CC=C1)CO[P@@](=O)(O2)OC[C@@H]3C=C[C@@H](O3)N4C=C(C(=O)NC4=O)C IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BI9Q4N Ethyl 5-amino-4-(4-bromophenyl)-2-phenyl-6,7,8,9-tetrahydro-4H-pyrano[2,3-b]quinoline-3-carboxylate Investigative 137638885 C27H25BrN2O3 505.4 CCOC(=O)C1=C(OC2=NC3=C(CCCC3)C(=C2C1C4=CC=C(C=C4)Br)N)C5=CC=CC=C5 IC50 = 74250 nM Poor binder T99799 Cholinesterase BIQ9K6 (3,4-Dimethoxyphenyl)-(4-{[(2-dimethylaminoethyl)-methylamino]methyl}phenyl)-methanone Investigative 42598036 C21H28N2O3 356.5 CN(C)CCN(C)CC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)OC)OC IC50 = 88800 nM Poor binder T99799 Cholinesterase BIT5B0 3-[4-(1-Benzofuran-2-yl)phenoxy]-N-benzyl-N-methylpropan-1-amine Investigative 71453346 C25H25NO2 371.5 CN(CCCOC1=CC=C(C=C1)C2=CC3=CC=CC=C3O2)CC4=CC=CC=C4 IC50 = 136000 nM Poor binder T99799 Cholinesterase BIY62B Pyrrolidine-1-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester Investigative 23635893 C17H15F3N2O3 352.31 C1CCN(C1)C(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BIYV27 4,4'-Bis(dimethylamino)benzil Investigative 222570 C18H20N2O2 296.4 CN(C)C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)N(C)C Ki ~ 100000 nM Poor binder T99799 Cholinesterase BJ2C1L 5,6-Decanedione Investigative 79690 C10H18O2 170.25 CCCCC(=O)C(=O)CCCC Ki ~ 100000 nM Poor binder T99799 Cholinesterase BJC4E2 2'-Hydroxychalcone Investigative 638276 C15H12O2 224.25 C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2O IC50 = 84000 nM Poor binder T99799 Cholinesterase BJCB03 N-(1H-Benzimidazol-2-yl)-N',N'-diethylpropane-1,3-diamine Investigative 2133593 C14H22N4 246.35 CCN(CC)CCCNC1=NC2=CC=CC=C2N1 IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BJL6I9 5-Methylisatin Investigative 11840 C9H7NO2 161.16 CC1=CC2=C(C=C1)NC(=O)C2=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase BJP91X [(1R,3R)-3-(4-Methoxyanilino)cyclohexyl] N,N-dimethylcarbamate Investigative 137651291 C16H24N2O3 292.37 CN(C)C(=O)O[C@@H]1CCC[C@H](C1)NC2=CC=C(C=C2)OC IC50 = 110000 nM Poor binder T99799 Cholinesterase BK2M7C 1-[(E)-(6-Hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]-3-(4-methoxyphenyl)thiourea Investigative 136244586 C13H13N5O3S2 351.4 COC1=CC=C(C=C1)NC(=S)N/N=C/C2=C(NC(=S)NC2=O)O IC50 = 56810 nM Poor binder T99799 Cholinesterase BK67FO 4-Hydroxy-piperidine-1-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester Investigative 23635637 C18H17F3N2O4 382.3 C1CN(CCC1O)C(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BK76HT Cyclohexyl-methyl-carbamic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester Investigative 23635401 C20H21F3N2O3 394.4 CN(C1CCCCC1)C(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BK7D2P (2E)-2-[(4-Pyrrolidin-1-ylphenyl)methylidene]-3H-inden-1-one Investigative 38864639 C20H19NO 289.4 C1CCN(C1)C2=CC=C(C=C2)/C=C/3\\CC4=CC=CC=C4C3=O IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BK7OU1 N-Butyl-N,1-dimethylbenzimidazol-2-amine Investigative 71723450 C13H19N3 217.31 CCCCN(C)C1=NC2=CC=CC=C2N1C IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BK8RI4 3-[2-[[5-(5-Methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-6-yl]propanoic acid Investigative 44328594 C20H21N2O9P 464.4 CC1=CN(C(=O)NC1=O)C2C=CC(O2)COP3(=O)OCC4=C(O3)C=CC(=C4)CCC(=O)O IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BKA1E6 1,2-Ethanediamine, N1-1H-benzimidazol-2-yl- Investigative 22064898 C9H12N4 176.22 C1=CC=C2C(=C1)NC(=N2)NCCN IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BKE1Z6 (4-Methoxy-phenyl)-methyl-carbamic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester Investigative 23635633 C21H17F3N2O4 418.4 CN(C1=CC=C(C=C1)OC)C(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BKN2L7 3-(4-Chlorophenyl)-N-methyl-N-phenyl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazole-1-carboxamide Investigative 10094001 C18H14ClF3N4OS 426.8 CN(C1=CC=CC=C1)C(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)SCC(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BKPH57 N-[3-[3-[1-(Dimethylamino)ethyl]phenoxy]propyl]-5-(dithiolan-3-yl)pentanamide Investigative 11647230 C21H34N2O2S2 410.6 CC(C1=CC(=CC=C1)OCCCNC(=O)CCCCC2CCSS2)N(C)C IC50 = 82400 nM Poor binder T99799 Cholinesterase BKR6U3 Dibromsalicil Investigative 10662 C14H8Br2O4 400.02 C1=CC(=C(C=C1Br)C(=O)C(=O)C2=C(C=CC(=C2)Br)O)O Ki ~ 100000 nM Poor binder T99799 Cholinesterase BKWX16 3-{7-[(4-Chlorobenzyl)methylamino]-heptyloxy}xanthen-9-one Investigative 44421934 C28H30ClNO3 464 CN(CCCCCCCOC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)CC4=CC=C(C=C4)Cl IC50 = 127000 nM Poor binder T99799 Cholinesterase BL0B8I (2R,3S,4S,5R)-1-Octyl-2-prop-2-enylpiperidine-3,4,5-triol Investigative 118725589 C16H31NO3 285.42 CCCCCCCCN1C[C@H]([C@@H]([C@H]([C@H]1CC=C)O)O)O IC50 = 161000 nM Poor binder T99799 Cholinesterase BL0MW5 5-Methyl-1-[(2R,5S)-5-[[6-methyl-8-[6-methyl-2-[[(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]-2-oxo-4H-1,3,2$l^{5}-benzodioxaphosphinin-8-yl]-2-oxo-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione Investigative 16114898 C36H36N4O14P2 810.6 CC1=CC2=C(C(=C1)C3=CC(=CC4=C3OP(=O)(OC4)OC[C@@H]5C=C[C@@H](O5)N6C=C(C(=O)NC6=O)C)C)OP(=O)(OC2)OC[C@@H]7C=C[C@@H](O7)N8C=C(C(=O)NC8=O)C IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BL1A7E 3-Methyl-piperidine-1-carboxylic Acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl Ester Investigative 23635634 C19H19F3N2O3 380.4 CC1CCCN(C1)C(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BL3GS1 [2-((5As,7R,9aS)-1-Formyl-7-hydroxy-4-methoxy-6,7-dihydro-5aH-dibenzofuran-9a-yl)-ethyl]-methyl-carbamic acid ethyl ester Investigative 10044997 C20H25NO6 375.4 CCOC(=O)N(C)CC[C@@]12C=C[C@@H](C[C@@H]1OC3=C(C=CC(=C23)C=O)OC)O IC50 = 155000 nM Poor binder T99799 Cholinesterase BL68MJ 5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione Investigative 2786143 C11H9NO2 187.19 C1CC2=C3C(=CC=C2)C(=O)C(=O)N3C1 Ki ~ 100000 nM Poor binder T99799 Cholinesterase BL91RV Morpholine-4-carboxylic acid 4-(3,5-dichloro-pyridin-2-yloxy)-phenyl ester Investigative 23635767 C16H14Cl2N2O4 369.2 C1COCCN1C(=O)OC2=CC=C(C=C2)OC3=C(C=C(C=N3)Cl)Cl IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BLC26D N'-Ethyl-N-[4-[2-[4-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexylamino]phenyl]ethyl]phenyl]-N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine Investigative 11434003 C46H66N4O2 707 CCN(CCCCCCNC1=CC=C(C=C1)CCC2=CC=C(C=C2)NCCCCCCN(CC)CC3=CC=CC=C3OC)CC4=CC=CC=C4OC IC50 = 95499.26 nM Poor binder T99799 Cholinesterase BLNF52 1,4-Dibromo-1,4-diphenylbutane-2,3-dione Investigative 2749126 C16H12Br2O2 396.07 C1=CC=C(C=C1)C(C(=O)C(=O)C(C2=CC=CC=C2)Br)Br Ki ~ 100000 nM Poor binder T99799 Cholinesterase BLU2M6 5-Fluoroisatin Investigative 236566 C8H4FNO2 165.12 C1=CC2=C(C=C1F)C(=O)C(=O)N2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase BLZ4Y6 Chembl4281350 Investigative 145981976 C15H16Br2Cl2N4O2 515 C1=C[N+](=CC=C1C(=O)N)CCC[N+]2=CC(=C(C(=C2)Cl)/C=N/O)Cl.[Br-].[Br-] Ki = 195000 nM Poor binder T99799 Cholinesterase BM15KT N-[(6-Hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]acetamide Investigative 136254441 C7H7N3O4 197.15 CC(=O)N=CC1=C(NC(=O)NC1=O)O IC50 = 116610 nM Poor binder T99799 Cholinesterase BM2K5I 5,7-Dimethylisatin Investigative 38296 C10H9NO2 175.18 CC1=CC(=C2C(=C1)C(=O)C(=O)N2)C Ki ~ 100000 nM Poor binder T99799 Cholinesterase BM75BK N-(3-(2-Oxo-2-(pyridin-2-yl)acetyl)phenyl)-4-(trifluoromethyl)benzamide Investigative 49857907 C21H13F3N2O3 398.3 C1=CC=NC(=C1)C(=O)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase BM89CE 1,2-Bis(4-fluorophenyl)-2-hydroxyethanone Investigative 103786 C14H10F2O2 248.22 C1=CC(=CC=C1C(C(=O)C2=CC=C(C=C2)F)O)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase BMAP67 2-(2-Phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol Investigative 3706065 C21H17NOS 331.4 C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3O)C4=CC=CC=C4 IC50 = 62000 nM Poor binder T99799 Cholinesterase BMDJ48 1-Phenyl-1,4-pentanedione Investigative 136371 C11H12O2 176.21 CC(=O)CCC(=O)C1=CC=CC=C1 Ki ~ 100000 nM Poor binder T99799 Cholinesterase BMF87A Methyl-p-tolyl-carbamic acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl ester Investigative 23635516 C21H17F3N2O3 402.4 CC1=CC=C(C=C1)N(C)C(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BMG8I5 1-(4-Hydroxyphenyl)-2-phenylethane-1,2-dione Investigative 142278 C14H10O3 226.23 C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)O Ki ~ 100000 nM Poor binder T99799 Cholinesterase BMWV28 3-[(1S)-5-[5-(2-Chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine Investigative 122186489 C27H26ClFN4O 477 CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C3=NNC(=N3)C4=CC=CC=C4Cl)C5=CC=C(C=C5)F IC50 = 81410 nM Poor binder T99799 Cholinesterase BMY0Z8 6-Chloroisatin Investigative 241331 C8H4ClNO2 181.57 C1=CC2=C(C=C1Cl)NC(=O)C2=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase BN1ZG8 N,N'-Diphenyloxamide Investigative 69288 C14H12N2O2 240.26 C1=CC=C(C=C1)NC(=O)C(=O)NC2=CC=CC=C2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase BN50JW 7-Trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester Investigative 23635896 C23H16F6N2O3 482.4 C1CC2=C(C=C(C=C2)C(F)(F)F)N(C1)C(=O)OC3=CC=C(C=C3)OC4=NC=C(C=C4)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BN8K6M 1-{[4-({4-[(2,3-Dioxo-2,3-dihydro-1H-indol-1-yl)methyl]phenyl}methyl)phenyl]methyl}-2,3-dihydro-1H-indole-2,3-dione Investigative 3821945 C31H22N2O4 486.5 C1=CC=C2C(=C1)C(=O)C(=O)N2CC3=CC=C(C=C3)CC4=CC=C(C=C4)CN5C6=CC=CC=C6C(=O)C5=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase BNB7I1 4-Benzoylbenzoic acid Investigative 69147 C14H10O3 226.23 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O Ki ~ 100000 nM Poor binder T99799 Cholinesterase BNG2S8 2,3-Pentanedione Investigative 11747 C5H8O2 100.12 CCC(=O)C(=O)C Ki ~ 100000 nM Poor binder T99799 Cholinesterase BNO30P 3-{[Methyl(7-{[(6E)-5-oxo-6-(3,4,5-trimethoxybenzylidene)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}heptyl)amino]methyl}phenyl methylcarbamate Investigative 11192952 C37H46N2O7 630.8 CNC(=O)OC1=CC=CC(=C1)CN(C)CCCCCCCOC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=C(C(=C4)OC)OC)OC)/CC3 IC50 = 84400 nM Poor binder T99799 Cholinesterase BO2Q1A 1H-Benzimidazol-2-amine, N-butyl-1-methyl- Investigative 64338500 C12H17N3 203.28 CCCCNC1=NC2=CC=CC=C2N1C IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BO3SI8 1-Acetylisatin Investigative 11321 C10H7NO3 189.17 CC(=O)N1C2=CC=CC=C2C(=O)C1=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase BO56IR 5-Fluoro-1-[(2R,4S,5R)-4-hydroxy-5-[[(2S)-8-methyl-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-2-yl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione Investigative 71458090 C17H18FN2O8P 428.3 CC1=C2C(=CC=C1)CO[P@](=O)(O2)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)F)O IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BO6GL7 Diacetyldistanol Investigative 45270503 C24H38O5 406.6 CC(=O)OC[C@]1(CCC[C@@]2([C@H]1C[C@@H]([C@]34[C@H]2CC[C@H](C3)[C@](C4)(C)O)OC(=O)C)C)C IC50 = 175800 nM Poor binder T99799 Cholinesterase BO6NA7 1-Morpholin-4-ylmethyl-1H-indole-2,3-dione Investigative 262696 C13H14N2O3 246.26 C1COCCN1CN2C3=CC=CC=C3C(=O)C2=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase BO8FX7 N-(4-{4-[(Benzylmethylamino)methyl]benzoyl}phenyl)-2-morpholin-4-yl-acetamide Investigative 53231343 C28H31N3O3 457.6 CN(CC1=CC=CC=C1)CC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)NC(=O)CN4CCOCC4 IC50 = 179000 nM Poor binder T99799 Cholinesterase BO8LN0 2-(Phenyl)-4-(3''-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepine Investigative 44587921 C21H17NOS 331.4 C1C(SC2=CC=CC=C2N=C1C3=CC(=CC=C3)O)C4=CC=CC=C4 IC50 = 142100 nM Poor binder T99799 Cholinesterase BO9P4G (3-(4-Chlorophenyl)-5-(2,2,2-trifluoroethylthio)-1H-1,2,4-triazol-1-yl)(morpholino)methanone Investigative 11350292 C15H14ClF3N4O2S 406.8 C1COCCN1C(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)SCC(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BOBF65 (5S,9R,E)-5-Amino-11-ethylidene-7-methyl-5,6,9,10-tetrahydro-5,9-methanocycloocta[b]pyridin-2(1H)-one. Investigative 9794806 C15H18N2O 242.32 C/C=C/1\\[C@@H]2CC3=C([C@@]1(CC(=C2)C)N)C=CC(=O)N3 IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BOBR82 (3Z,5E)-3,5-Bis[[4-(dimethylamino)-2-nitrophenyl]methylidene]-1-methylpiperidin-4-one Investigative 90645119 C24H27N5O5 465.5 CN1C/C(=C\\C2=C(C=C(C=C2)N(C)C)[N+](=O)[O-])/C(=O)/C(=C\\C3=C(C=C(C=C3)N(C)C)[N+](=O)[O-])/C1 IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BOE6N2 3-[(1S)-1-(4-Fluorophenyl)-5-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine Investigative 122186503 C28H29FN4O2 472.6 CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C3=NNC(=N3)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)F IC50 = 167820 nM Poor binder T99799 Cholinesterase BOF72S 5-Iodoisatin Investigative 88695 C8H4INO2 273.03 C1=CC2=C(C=C1I)C(=O)C(=O)N2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase BOI7T9 3-Chloro-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl)benzamide Investigative 49857912 C20H13ClN2O3 364.8 C1=CC=NC(=C1)C(=O)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Cl Ki ~ 100000 nM Poor binder T99799 Cholinesterase BOK21G 1,15,15-Trimethyl-3-azatetracyclo[10.2.1.0^{2,11}.0^{4,9}]pentadeca-2(11),3,5,7,9-pentaen-10-amine Investigative 44344490 C17H20N2 252.35 CC1(C2CCC1(C3=NC4=CC=CC=C4C(=C23)N)C)C IC50 = 88000 nM Poor binder T99799 Cholinesterase BOM3N8 3-[2-(4-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol Investigative 44587346 C21H16ClNOS 365.9 C1C(SC2=CC=CC=C2N=C1C3=CC(=CC=C3)O)C4=CC=C(C=C4)Cl IC50 = 76600 nM Poor binder T99799 Cholinesterase BOT1D9 2-Methyl-piperidine-1-carboxylic Acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl Ester Investigative 23636022 C19H19F3N2O3 380.4 CC1CCCCN1C(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BOW9H5 3-{3-[(Benzylmethylamino)methyl]phenyl}-6-methoxychromen-2-one Investigative 44427470 C25H23NO3 385.5 CN(CC1=CC=CC=C1)CC2=CC(=CC=C2)C3=CC4=C(C=CC(=C4)OC)OC3=O IC50 = 136000 nM Poor binder T99799 Cholinesterase BP04RL 1,2-Bis(4-bromo-3-nitrophenyl)ethane-1,2-dione Investigative 5038499 C14H6Br2N2O6 458.01 C1=CC(=C(C=C1C(=O)C(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])[N+](=O)[O-])Br Ki ~ 100000 nM Poor binder T99799 Cholinesterase BP0YH9 2,6-Dimethyl-morpholine-4-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester Investigative 23635513 C19H19F3N2O4 396.4 CC1CN(CC(O1)C)C(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BP4IN8 Phenyl-1,2-Heptanedione Investigative 10655805 C13H16O2 204.26 CCCCCC(=O)C(=O)C1=CC=CC=C1 Ki ~ 100000 nM Poor binder T99799 Cholinesterase BP4QV1 5-Methylsulfanyl-3-(4-trifluoromethoxy-phenyl)-[1,2,4]triazole-1-carboxylic acid methyl-phenyl-amide Investigative 10476544 C18H15F3N4O2S 408.4 CN(C1=CC=CC=C1)C(=O)N2C(=NC(=N2)C3=CC=C(C=C3)OC(F)(F)F)SC IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BP6YM4 Lucidenic acid N Investigative 21592283 C27H40O6 460.6 C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C IC50 = 188360 nM Poor binder T99799 Cholinesterase BP9H6U 2-[(E)-3-[4-(Dimethylamino)phenyl]prop-2-enoyl]-3,4-dihydro-2H-naphthalen-1-one Investigative 90645125 C21H21NO2 319.4 CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2CCC3=CC=CC=C3C2=O IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BPA9L2 1,2-Bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione Investigative 3126152 C16H12N2O8 360.27 COC1=C(C=C(C=C1)C(=O)C(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])[N+](=O)[O-] Ki ~ 100000 nM Poor binder T99799 Cholinesterase BPL12D Benzyl (2S)-2-[(3S,3aS,4R,5S,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-hydroxyacetate Investigative 45482100 C38H40O9 640.7 CO[C@@H]1[C@H]2[C@]([C@H](CO2)OCC3=CC=CC=C3)([C@@H]([C@@H](O1)[C@@H](C(=O)OCC4=CC=CC=C4)O)OCC5=CC=CC=C5)OCC6=CC=CC=C6 IC50 = 133000 nM Poor binder T99799 Cholinesterase BPQ64Y (1R,4S,5S,9R,29R,33S,34S,37R,38R,41S,42R,55R,56S,59R)-5,9,14,14,24,24,29,33,41,56-Decamethyl-11,27,43,54-tetraoxa-14,24-diazonianonacyclo[53.4.1.11,56.137,41.137,42.04,9.05,59.029,34.033,38]trihexacontane-10,28,44,53-tetrone;dibromide Investigative 90667352 C67H114Br2N2O8 1235.4 C[C@]12CC[C@H]3[C@@]4(CCC[C@@]5([C@H]4CC[C@@]3(C1)C[C@H]2OC(=O)CCCCCCCCC(=O)O[C@@H]6C[C@]78CC[C@H]9[C@]([C@@H]7CC[C@]6(C8)C)(CCC[C@]9(C(=O)OCC[N+](CCCCCCCCC[N+](CCOC5=O)(C)C)(C)C)C)C)C)C.[Br-].[Br-] IC50 = 60000 nM Poor binder T99799 Cholinesterase BPYV28 4-Tert-butyl-1-[(4-tert-butylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium;dichloride Investigative 10317909 C20H30Cl2N2O 385.4 CC(C)(C)C1=CC=[N+](C=C1)COC[N+]2=CC=C(C=C2)C(C)(C)C.[Cl-].[Cl-] IC50 = 75000 nM Poor binder T99799 Cholinesterase BQ2M0D 3-[(1S)-5-[3-(3-Bromophenyl)-1H-1,2,4-triazol-5-yl]-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine Investigative 122186496 C27H26BrFN4O 521.4 CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C3=NC(=NN3)C4=CC(=CC=C4)Br)C5=CC=C(C=C5)F IC50 = 78020 nM Poor binder T99799 Cholinesterase BQDK86 7-Fluoroisatin Investigative 586418 C8H4FNO2 165.12 C1=CC2=C(C(=C1)F)NC(=O)C2=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase BQF20B Benzyl phenyl sulfone Investigative 76561 C13H12O2S 232.3 C1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC=C2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase BQW9O8 [3-(4-Chloro-phenyl)-5-hexylsulfanyl-[1,2,4]triazol-1-yl]-piperidin-1-yl-methanone Investigative 11304331 C20H27ClN4OS 407 CCCCCCSC1=NC(=NN1C(=O)N2CCCCC2)C3=CC=C(C=C3)Cl IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BR06XB Ethyl 5-amino-4-(4-methylphenyl)-2-phenyl-6,7,8,9-tetrahydro-4H-pyrano[2,3-b]quinoline-3-carboxylate Investigative 137636375 C28H28N2O3 440.5 CCOC(=O)C1=C(OC2=NC3=C(CCCC3)C(=C2C1C4=CC=C(C=C4)C)N)C5=CC=CC=C5 IC50 = 54100 nM Poor binder T99799 Cholinesterase BR1U7W 3-[2-(4-Methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol Investigative 44587524 C22H19NOS 345.5 CC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC(=CC=C4)O IC50 = 75200 nM Poor binder T99799 Cholinesterase BR4G7U n-Butyl-1h-benzimidazol-2-amine Investigative 284016 C11H15N3 189.26 CCCCNC1=NC2=CC=CC=C2N1 IC50 = 61010 nM Poor binder T99799 Cholinesterase BR7XU3 1,2-Bis(2-methoxyphenyl)ethane-1,2-dione Investigative 222475 C16H14O4 270.28 COC1=CC=CC=C1C(=O)C(=O)C2=CC=CC=C2OC Ki ~ 100000 nM Poor binder T99799 Cholinesterase BR9BD8 (2,3-Dioxo-2,3-dihydro-indol-1-yl)-acetic acid Investigative 43402 C10H7NO4 205.17 C1=CC=C2C(=C1)C(=O)C(=O)N2CC(=O)O Ki ~ 100000 nM Poor binder T99799 Cholinesterase BR9FB2 2-[[1-[(3-Chlorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one Investigative 134155675 C24H28ClNO3 413.9 COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC(=CC=C4)Cl)OC IC50 = 50200 nM Poor binder T99799 Cholinesterase BRC12F Methylphosphonothioic acid O-cyclohexyl S-methyl ester Investigative 14877070 C8H17O2PS 208.26 CP(=O)(OC1CCCCC1)SC IC50 = 140000 nM Poor binder T99799 Cholinesterase BRJI36 3-[(1S)-1-(4-Fluorophenyl)-5-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine Investigative 122186488 C28H29FN4O 456.6 CC1=CC=C(C=C1)C2=NC(=NN2)C3=CC4=C(C=C3)[C@](OC4)(CCCN(C)C)C5=CC=C(C=C5)F IC50 = 151870 nM Poor binder T99799 Cholinesterase BRY84C 4-[2-(4-Methoxyphenyl)-2-oxoacetyl]benzoic acid Investigative 44435798 C16H12O5 284.26 COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C(=O)O Ki ~ 100000 nM Poor binder T99799 Cholinesterase BS3PA2 1,2-Bis(2,4,6-trimethylphenyl)ethane-1,2-dione Investigative 1972026 C20H22O2 294.4 CC1=CC(=C(C(=C1)C)C(=O)C(=O)C2=C(C=C(C=C2C)C)C)C Ki ~ 100000 nM Poor binder T99799 Cholinesterase BS4LR5 (S)-4-Isopropyl-3-methyl-2-(3-methylpiperidine-1-carbonyl)isoxazol-5(2H)-one Investigative 10038557 C14H22N2O3 266.34 C[C@H]1CCCN(C1)C(=O)N2C(=C(C(=O)O2)C(C)C)C IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BS53HV 2-[4-[2-(3,4-Dimethoxyphenyl)ethylamino]quinazolin-2-yl]acetamide Investigative 137655981 C20H22N4O3 366.4 COC1=C(C=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)CC(=O)N)OC IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BS54GL 2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(4-morpholin-4-yl-butoxy)indan-1-one Investigative 46228761 C33H38N2O3 510.7 CN(CC1=CC=CC=C1)CC2=CC=C(C=C2)/C=C/3\\CC4=C(C3=O)C=C(C=C4)OCCCCN5CCOCC5 IC50 = 99800 nM Poor binder T99799 Cholinesterase BSBM02 4-Methoxy-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl)benzamide Investigative 49857911 C21H16N2O4 360.4 COC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)C(=O)C3=CC=CC=N3 Ki ~ 100000 nM Poor binder T99799 Cholinesterase BSE20X 1-Phenylbutane-1,2-dione Investigative 219605 C10H10O2 162.18 CCC(=O)C(=O)C1=CC=CC=C1 Ki ~ 100000 nM Poor binder T99799 Cholinesterase BT0U8O (2-{4-[7-(Benzylmethylamino)heptyloxy]phenyl}benzofuran-3-yl)-(4-methoxyphenyl)-methanone Investigative 24865362 C37H39NO4 561.7 CN(CCCCCCCOC1=CC=C(C=C1)C2=C(C3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)OC)CC5=CC=CC=C5 IC50 = 89100 nM Poor binder T99799 Cholinesterase BT2I6O (2E)-2-[[4-(Diethoxymethyl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one Investigative 90645114 C22H24O3 336.4 CCOC(C1=CC=C(C=C1)/C=C/2\\CCC3=CC=CC=C3C2=O)OCC IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BT5W2F 3,4-Hexanedione Investigative 62539 C6H10O2 114.14 CCC(=O)C(=O)CC Ki ~ 100000 nM Poor binder T99799 Cholinesterase BT6KB5 (E)-1-[4-[3-(Dibutylamino)propoxy]phenyl]-3-phenylprop-2-en-1-one Investigative 118715722 C26H35NO2 393.6 CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2 IC50 = 68250 nM Poor binder T99799 Cholinesterase BT7O5C 9-[4-(1-Benzofuran-2-yl)phenoxy]-N-benzyl-N-methylnonan-1-amine Investigative 71458713 C31H37NO2 455.6 CN(CCCCCCCCCOC1=CC=C(C=C1)C2=CC3=CC=CC=C3O2)CC4=CC=CC=C4 IC50 = 55600 nM Poor binder T99799 Cholinesterase BT9M5R N-Pyridin-2-yl-1H-benzimidazol-2-amine Investigative 2999234 C12H10N4 210.23 C1=CC=C2C(=C1)NC(=N2)NC3=CC=CC=N3 IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BTW1P5 Isopropyl-methyl-carbamic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester Investigative 23635891 C17H17F3N2O3 354.32 CC(C)N(C)C(=O)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BU1IO2 2-(4-Ethoxyanilino)-N,N-diethyl-1-(2-piperidin-1-ylethyl)benzimidazole-5-carboxamide Investigative 137654571 C27H37N5O2 463.6 CCN(CC)C(=O)C1=CC2=C(C=C1)N(C(=N2)NC3=CC=C(C=C3)OCC)CCN4CCCCC4 IC50 = 50118.72 nM Poor binder T99799 Cholinesterase BU1YF8 2-[2-Hydroxy-3-(hydroxymethyl)-5-methyl-phenyl]-6-(hydroxymethyl)-4-methyl-phenol Investigative 16115141 C16H18O4 274.31 CC1=CC(=C(C(=C1)C2=CC(=CC(=C2O)CO)C)O)CO IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BU3S2I 2-Chloro-3',4'-dimethoxybenzil Investigative 92036 C16H13ClO4 304.72 COC1=C(C=C(C=C1)C(=O)C(=O)C2=CC=CC=C2Cl)OC Ki ~ 100000 nM Poor binder T99799 Cholinesterase BU54HI 3-[(1S)-1-(4-Fluorophenyl)-5-[5-(4-iodophenyl)-1H-1,2,4-triazol-3-yl]-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine Investigative 122186500 C27H26FIN4O 568.4 CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C3=NNC(=N3)C4=CC=C(C=C4)I)C5=CC=C(C=C5)F IC50 = 160950 nM Poor binder T99799 Cholinesterase BU8DE3 2-[(2-Chloropyridin-4-yl)carbamoyloxy]ethyl-trimethylazanium;iodide Investigative 44446104 C11H17ClIN3O2 385.63 C[N+](C)(C)CCOC(=O)NC1=CC(=NC=C1)Cl.[I-] Ki = 161300 nM Poor binder T99799 Cholinesterase BUCW28 3-[(1S)-1-(4-Fluorophenyl)-5-[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine Investigative 122186383 C27H26FN5O3 487.5 CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C3=NNC(=N3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)F IC50 = 106410 nM Poor binder T99799 Cholinesterase BUE80A N-(3-(2-Oxo-2-(pyridin-2-yl)acetyl)phenyl)-2-phenoxyacetamide Investigative 49857910 C21H16N2O4 360.4 C1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)C(=O)C3=CC=CC=N3 Ki ~ 100000 nM Poor binder T99799 Cholinesterase BUJT28 Ethyl 5-amino-2-methyl-4-pyridin-3-yl-1,4,6,7,8,9-hexahydrobenzo[b]-1,8-naphthyridine-3-carboxylate Investigative 42618137 C21H24N4O2 364.4 CCOC(=O)C1=C(NC2=NC3=C(CCCC3)C(=C2C1C4=CN=CC=C4)N)C IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BUK02T 3-[(1S)-5-[5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine Investigative 122186491 C27H26ClFN4O 477 CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C3=NNC(=N3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)F IC50 = 151350 nM Poor binder T99799 Cholinesterase BUKI24 3-{[Methyl(7-{[(2E)-1-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1H-inden-5-yl]oxy}heptyl)amino]methyl}phenyl methylcarbamate Investigative 11204324 C36H44N2O7 616.7 CNC(=O)OC1=CC=CC(=C1)CN(C)CCCCCCCOC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=C(C(=C4)OC)OC)OC)/C3 IC50 = 81300 nM Poor binder T99799 Cholinesterase BUM2J0 1-(Perchlorophenyl)-2-(perfluorophenyl)ethane-1,2-dione Investigative 3527426 C14Cl5F5O2 472.4 C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)C(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl Ki ~ 100000 nM Poor binder T99799 Cholinesterase BUWV60 9-[2-(3-Methyl-cycloSal)-phosphonylmethoxyethyl]adenine Investigative 11581590 C16H18N5O4P 375.32 CC1=C2C(=CC=C1)COP(=O)(O2)COCCN3C=NC4=C(N=CN=C43)N IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BUYJ09 (E)-N-[2-(1-Benzylpiperidin-4-yl)ethyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide Investigative 127049071 C23H28N2O3 380.5 C1CN(CCC1CCNC(=O)/C=C/C2=CC(=C(C=C2)O)O)CC3=CC=CC=C3 IC50 = 145100 nM Poor binder T99799 Cholinesterase BV13ZL 1,2-Bis[2,5-bis(trifluoromethyl)-phenyl]ethane-1,2-dione Investigative 44428844 C18H6F12O2 482.2 C1=CC(=C(C=C1C(F)(F)F)C(=O)C(=O)C2=C(C=CC(=C2)C(F)(F)F)C(F)(F)F)C(F)(F)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase BV25DR 1-[(2R,5S)-5-[[(2R)-6-Methoxy-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione Investigative 71449167 C18H19N2O8P 422.3 CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P@@]3(=O)OCC4=C(O3)C=CC(=C4)OC IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BV34DH Hydrobenzoin Investigative 95447 C14H14O2 214.26 C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)O Ki ~ 100000 nM Poor binder T99799 Cholinesterase BV5R8I 1-(1H-Benzimidazol-2-yl)-3,4-dihydro-2H-quinoline Investigative 41474021 C16H15N3 249.31 C1CC2=CC=CC=C2N(C1)C3=NC4=CC=CC=C4N3 IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BV61JB 3-[(1S)-1-(4-Fluorophenyl)-5-[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine Investigative 122186487 C28H29FN4O 456.6 CC1=CC(=CC=C1)C2=NNC(=N2)C3=CC4=C(C=C3)[C@](OC4)(CCCN(C)C)C5=CC=C(C=C5)F IC50 = 89240 nM Poor binder T99799 Cholinesterase BV8H3Y (2E,5E)-2,5-Bis[(4-pyrrolidin-1-ylphenyl)methylidene]cyclopentan-1-one Investigative 90645131 C27H30N2O 398.5 C1CN(CC1)C2=CC=C(C=C2)/C=C\\3/C(=O)/C(=C/C4=CC=C(C=C4)N5CCCC5)/CC3 IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BV9Q4L N-(4-{4-[(Benzylmethylamino)methyl]benzoyl}phenyl)-2-diethylaminoacetamide Investigative 53231341 C28H33N3O2 443.6 CCN(CC)CC(=O)NC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CN(C)CC3=CC=CC=C3 IC50 = 144000 nM Poor binder T99799 Cholinesterase BVB0H2 4-Ethyl isatin Investigative 13827082 C10H9NO2 175.18 CCC1=C2C(=CC=C1)NC(=O)C2=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase BVB6W2 (3E,5E)-1-Benzyl-3,5-bis[[4-(diethoxymethyl)phenyl]methylidene]piperidin-4-one Investigative 90645110 C36H43NO5 569.7 CCOC(OCC)C1=CC=C(C=C1)/C=C\\2/C(=O)/C(=C/C3=CC=C(C=C3)C(OCC)OCC)/CN(C2)CC4=CC=CC=C4 IC50 = 65270 nM Poor binder T99799 Cholinesterase BVD46R 6-(3,4-Dichlorophenyl)-3-(3-pyridyl)-7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiazine Investigative 3796877 C15H9Cl2N5S 362.2 C1C(=NN2C(=NN=C2S1)C3=CN=CC=C3)C4=CC(=C(C=C4)Cl)Cl IC50 = 64800 nM Poor binder T99799 Cholinesterase BVGA27 N-(3-(2-Oxo-2-(pyridin-2-yl)acetyl)phenyl)-2-(thiophen-2-yl)acetamide Investigative 49857906 C19H14N2O3S 350.4 C1=CC=NC(=C1)C(=O)C(=O)C2=CC(=CC=C2)NC(=O)CC3=CC=CS3 Ki ~ 100000 nM Poor binder T99799 Cholinesterase BVP45S Dimethyl-carbamic Acid 4-(3,5-dichloro pyridin-2-yloxy)-phenyl Ester Investigative 23635398 C14H12Cl2N2O3 327.2 CN(C)C(=O)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)Cl IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BVR5I2 1-[(2R,5S)-5-[[(2R)-8-Tert-butyl-2-oxo-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione Investigative 9579449 C21H25N2O7P 448.4 CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P@@]3(=O)OCC4=C(O3)C(=CC=C4)C(C)(C)C IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BVZ2K3 2-(2,3-Dioxo-2,3-dihydro-1H-indol-1-yl)acetamide Investigative 1906162 C10H8N2O3 204.18 C1=CC=C2C(=C1)C(=O)C(=O)N2CC(=O)N Ki ~ 100000 nM Poor binder T99799 Cholinesterase BW36VS (3,4-Dimethoxyphenyl)-(4-{[methyl-(3-nitrobenzyl)amino]methyl}phenyl)methanone Investigative 42598039 C24H24N2O5 420.5 CN(CC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)OC)OC)CC3=CC(=CC=C3)[N+](=O)[O-] IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BW5XC9 (1E,4E)-1,5-Bis[4-(dimethylamino)-2-nitrophenyl]penta-1,4-dien-3-one Investigative 90645121 C21H22N4O5 410.4 CN(C1=CC(=C(C=C1)/C=C/C(=O)/C=C/C2=C(C=C(C=C2)N(C)C)[N+](=O)[O-])[N+](=O)[O-])C IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BW7BN4 5,6-Dimethoxy-2-[[1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl]methyl]-2,3-dihydroinden-1-one Investigative 134139579 C24H30N2O3 394.5 CC1=NC(=CC=C1)CN2CCC(CC2)CC3CC4=CC(=C(C=C4C3=O)OC)OC IC50 = 65700 nM Poor binder T99799 Cholinesterase BW84EB 1-(2,4-Dinitrophenyl)-2-phenylethane-1,2-dione Investigative 5004413 C14H8N2O6 300.22 C1=CC=C(C=C1)C(=O)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] Ki ~ 100000 nM Poor binder T99799 Cholinesterase BWKZ28 Dibenzyl sulfone Investigative 69282 C14H14O2S 246.33 C1=CC=C(C=C1)CS(=O)(=O)CC2=CC=CC=C2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase BWM0C2 6-[(4-Fluorophenyl)methyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Investigative 118715681 C15H10FN5S 311.3 C1=CC(=CN=C1)C2=NN=C3N2N=C(S3)CC4=CC=C(C=C4)F IC50 = 79900 nM Poor binder T99799 Cholinesterase BWR8O1 2,3-Butanedione Investigative 650 C4H6O2 86.09 CC(=O)C(=O)C Ki ~ 100000 nM Poor binder T99799 Cholinesterase BX0YM3 (2E,6Z)-2,6-Bis[(4-pyrrolidin-1-ylphenyl)methylidene]cyclohexan-1-one Investigative 90645126 C28H32N2O 412.6 C1CCN(C1)C2=CC=C(C=C2)/C=C/3\\CCC/C(=C/C4=CC=C(C=C4)N5CCCC5)/C3=O IC50 ~ 100000 nM Poor binder T99799 Cholinesterase BX18VJ 3-[5-[(1S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-yl]-1H-1,2,4-triazol-3-yl]aniline Investigative 122186376 C27H28FN5O 457.5 CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C3=NC(=NN3)C4=CC(=CC=C4)N)C5=CC=C(C=C5)F IC50 = 187540 nM Poor binder T99799 Cholinesterase BX7UJ8 Benzyl-methyl-carbamic Acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl Ester Investigative 23635892 C21H17F3N2O3 402.4 CN(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BXEO45 7-Methylisatin Investigative 14313 C9H7NO2 161.16 CC1=C2C(=CC=C1)C(=O)C(=O)N2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase BXM1Z6 (4-{[Benzyl-(2-hydroxyethyl)amino]methyl}phenyl)-(3,4-dimethoxyphenyl)methanone Investigative 42598273 C25H27NO4 405.5 COC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)CN(CCO)CC3=CC=CC=C3)OC IC50 = 172000 nM Poor binder T99799 Cholinesterase BXO7I9 3-Methylcyclopentane-1,2-dione Investigative 61209 C6H8O2 112.13 CC1CCC(=O)C1=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase BXW1A5 1-[1-(2-Chloro-4-methylphenyl)triazol-4-yl]cyclohexan-1-ol Investigative 90643471 C15H18ClN3O 291.77 CC1=CC(=C(C=C1)N2C=C(N=N2)C3(CCCCC3)O)Cl IC50 = 65500 nM Poor binder T99799 Cholinesterase BY13PU N,N'-[Octamethylenebis[methyliminocarbonyl(pentamethylene)]]bis[N-ethyl-2-(trifluoromethyl)benzenemethanamine] Investigative 10974737 C42H64F6N4O2 771 CCN(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(CC)CC1=CC=CC=C1C(F)(F)F)CC2=CC=CC=C2C(F)(F)F IC50 = 165958.69 nM Poor binder T99799 Cholinesterase BY3GB5 9-[2-[(6,8-Ditert-butyl-2-oxo-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-yl)methoxy]ethyl]purin-6-amine Investigative 11698541 C23H32N5O4P 473.5 CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OP(=O)(OC2)COCCN3C=NC4=C(N=CN=C43)N IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BY5BU1 2-Amino-9-[3-(hydroxymethyl)-4-[(8-methyl-2-oxo-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-yl)oxy]butyl]-1H-purin-6-one Investigative 135409581 C18H22N5O6P 435.4 CC1=C2C(=CC=C1)COP(=O)(O2)OCC(CCN3C=NC4=C3N=C(NC4=O)N)CO IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BY7UN8 [4-(2-Phenylethylamino)quinazolin-2-yl]urea Investigative 137638765 C17H17N5O 307.35 C1=CC=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)NC(=O)N IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BYG48J 1,2-Bis[3-(trifluoromethyl)phenyl]-2-hydroxyethanone Investigative 44428836 C16H10F6O2 348.24 C1=CC(=CC(=C1)C(F)(F)F)C(C(=O)C2=CC(=CC=C2)C(F)(F)F)O Ki ~ 100000 nM Poor binder T99799 Cholinesterase BYM6S1 6-Chloro-7-methyl-1H-indole-2,3-dione Investigative 4513067 C9H6ClNO2 195.6 CC1=C(C=CC2=C1NC(=O)C2=O)Cl Ki ~ 100000 nM Poor binder T99799 Cholinesterase BYO53H [2-[4-[7-[Benzyl(methyl)amino]heptoxy]phenyl]-1-benzofuran-3-yl]-(4-phenylphenyl)methanone Investigative 71455057 C42H41NO3 607.8 CN(CCCCCCCOC1=CC=C(C=C1)C2=C(C3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5)CC6=CC=CC=C6 IC50 = 88900 nM Poor binder T99799 Cholinesterase BYP1O7 Phenothiazine-10-carboxamide Investigative 101464 C13H10N2OS 242.3 C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)N Ki = 90800 nM Poor binder T99799 Cholinesterase BYS3O2 Ethanedione, bis(4-hydroxy-3-nitrophenyl)- Investigative 24825630 C14H8N2O8 332.22 C1=CC(=C(C=C1C(=O)C(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])[N+](=O)[O-])O Ki ~ 100000 nM Poor binder T99799 Cholinesterase BYS96N 1-Piperidin-1-ylmethyl-1H-indole-2,3-dione Investigative 262695 C14H16N2O2 244.29 C1CCN(CC1)CN2C3=CC=CC=C3C(=O)C2=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase BYTR10 3-{[Methyl(7-{[(3E)-4-oxo-3-(3,4,5-trimethoxybenzylidene)-3,4-dihydro-2H-chromen-7-yl]oxy}heptyl)amino]methyl}phenyl methylcarbamate Investigative 11763573 C36H44N2O8 632.7 CNC(=O)OC1=CC=CC(=C1)CN(C)CCCCCCCOC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=C(C(=C4)OC)OC)OC)/CO3 IC50 = 153000 nM Poor binder T99799 Cholinesterase BYV7P2 (E)-1-[4-[5-(Dibutylamino)pentoxy]phenyl]-3-phenylprop-2-en-1-one Investigative 118715724 C28H39NO2 421.6 CCCCN(CCCC)CCCCCOC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2 IC50 = 96920 nM Poor binder T99799 Cholinesterase BZ1P0A Acetylacetone Investigative 31261 C5H8O2 100.12 CC(=O)CC(=O)C Ki ~ 100000 nM Poor binder T99799 Cholinesterase BZ63FH Lucidadiol Investigative 10789991 C30H48O3 456.7 C[C@H](CC/C=C(\\C)/CO)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C IC50 = 156270 nM Poor binder T99799 Cholinesterase BZ86AY 1-[5-[(6,8-Ditert-butyl-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione Investigative 44328527 C25H33N2O7P 504.5 CC1=CN(C(=O)NC1=O)C2C=CC(O2)COP3(=O)OCC4=C(O3)C(=CC(=C4)C(C)(C)C)C(C)(C)C IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BZD69W 4-Hydroxymethyl-piperidine-1-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester Investigative 23636024 C19H19F3N2O4 396.4 C1CN(CCC1CO)C(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BZO92L [4-(Benzylamino)quinazolin-2-yl]urea Investigative 137646193 C16H15N5O 293.32 C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)NC(=O)N IC50 ~ 50000 nM Poor binder T99799 Cholinesterase BZQ23S (E)-1-[4-[2-(Dipropylamino)ethoxy]phenyl]-3-phenylprop-2-en-1-one Investigative 118715716 C23H29NO2 351.5 CCCN(CCC)CCOC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2 IC50 = 52580 nM Poor binder T99799 Cholinesterase D00ANJ 1-dodecyl-1H-indole-2,3-dione Investigative 1897797 C20H29NO2 315.4 CCCCCCCCCCCCN1C2=CC=CC=C2C(=O)C1=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase D00PLH 1,2-bis(2,5-difluorophenyl)-2-hydroxyethanone Investigative 44428832 C14H8F4O2 284.2 C1=CC(=C(C=C1F)C(C(=O)C2=C(C=CC(=C2)F)F)O)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase D01HRG 1-phenyl-1H-indole-2,3-dione Investigative 12884 C14H9NO2 223.23 C1=CC=C(C=C1)N2C3=CC=CC=C3C(=O)C2=O Ki = 68800 nM Poor binder T99799 Cholinesterase D01HZN 1,2-bis(3,4,5-trifluorophenyl)-2-hydroxyethanone Investigative 44428835 C14H6F6O2 320.19 C1=C(C=C(C(=C1F)F)F)C(C(=O)C2=CC(=C(C(=C2)F)F)F)O Ki ~ 100000 nM Poor binder T99799 Cholinesterase D01VAU 1,2-Bis-(3-methoxy-phenyl)-ethane-1,2-dione Investigative 123493 C16H14O4 270.28 COC1=CC=CC(=C1)C(=O)C(=O)C2=CC(=CC=C2)OC Ki ~ 100000 nM Poor binder T99799 Cholinesterase D01VCS 1,2-bis(2,6-difluorophenyl)ethane-1,2-dione Investigative 44428837 C14H6F4O2 282.19 C1=CC(=C(C(=C1)F)C(=O)C(=O)C2=C(C=CC=C2F)F)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase D02BDL Dibenzoylmethane Investigative 8433 C15H12O2 224.25 C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase D02GJG 1,2-bis(2-fluorophenyl)ethane-1,2-dione Investigative 11043027 C14H8F2O2 246.21 C1=CC=C(C(=C1)C(=O)C(=O)C2=CC=CC=C2F)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase D02HQS 1,2-bis(2,4-difluorophenyl)ethane-1,2-dione Investigative 19377173 C14H6F4O2 282.19 C1=CC(=C(C=C1F)F)C(=O)C(=O)C2=C(C=C(C=C2)F)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase D02TLP 1-Phenyl-propane-1,2-dione Investigative 11363 C9H8O2 148.16 CC(=O)C(=O)C1=CC=CC=C1 Ki ~ 100000 nM Poor binder T99799 Cholinesterase D03HZT 1,2-Bis-(2-chloro-phenyl)-ethane-1,2-dione Investigative 89076 C14H8Cl2O2 279.1 C1=CC=C(C(=C1)C(=O)C(=O)C2=CC=CC=C2Cl)Cl Ki ~ 100000 nM Poor binder T99799 Cholinesterase D03TPH 5-chloro-1H-indole-2,3-dione Investigative 87203 C8H4ClNO2 181.57 C1=CC2=C(C=C1Cl)C(=O)C(=O)N2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase D04AXR 4-chloro-1H-indole-2,3-dione Investigative 96047 C8H4ClNO2 181.57 C1=CC2=C(C(=C1)Cl)C(=O)C(=O)N2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase D04CDV 1,2-bis(2,6-difluorophenyl)-2-hydroxyethanone Investigative 44428829 C14H8F4O2 284.2 C1=CC(=C(C(=C1)F)C(C(=O)C2=C(C=CC=C2F)F)O)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase D04EXR 4,6-dichloro-1H-indole-2,3-dione Investigative 251908 C8H3Cl2NO2 216.02 C1=C(C=C(C2=C1NC(=O)C2=O)Cl)Cl Ki ~ 100000 nM Poor binder T99799 Cholinesterase D05AVX Heptane-2,3-dione Investigative 60983 C7H12O2 128.169 CCCCC(=O)C(=O)C Ki ~ 100000 nM Poor binder T99799 Cholinesterase D05EMT 1,2-bis(2,5-difluorophenyl)ethane-1,2-dione Investigative 22574258 C14H6F4O2 282.19 C1=CC(=C(C=C1F)C(=O)C(=O)C2=C(C=CC(=C2)F)F)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase D05EYA 1,2-Bis-(4-chloro-phenyl)-ethane-1,2-dione Investigative 18946 C14H8Cl2O2 279.1 C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Cl)Cl Ki ~ 100000 nM Poor binder T99799 Cholinesterase D05PNO 1-(2-iodoethyl)-1H-indole-2,3-dione Investigative 4135273 C10H8INO2 301.08 C1=CC=C2C(=C1)C(=O)C(=O)N2CCI Ki ~ 100000 nM Poor binder T99799 Cholinesterase D05VUC 1,2-bis(2-fluorophenyl)-2-hydroxyethanone Investigative 19971657 C14H10F2O2 248.22 C1=CC=C(C(=C1)C(C(=O)C2=CC=CC=C2F)O)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase D05XRY 11,12-dihydro-dibenzo[a,e]cyclooctene-5,6-dione Investigative 2752926 C16H12O2 236.26 C1CC2=CC=CC=C2C(=O)C(=O)C3=CC=CC=C31 Ki ~ 100000 nM Poor binder T99799 Cholinesterase D05ZCX Thieno[3,2-e][1]benzothiophene-4,5-dione Investigative 44435802 C10H4O2S2 220.3 C1=CSC2=C1C3=C(C(=O)C2=O)SC=C3 Ki ~ 100000 nM Poor binder T99799 Cholinesterase D06ERH CHALCONE Investigative 637760 C15H12O 208.25 C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2 IC50 = 87000 nM Poor binder T99799 Cholinesterase D06FFD 1,2-Bis-(4-bromo-phenyl)-ethane-1,2-dione Investigative 96430 C14H8Br2O2 368.02 C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Br)Br Ki ~ 100000 nM Poor binder T99799 Cholinesterase D06GYH 1,2-bis(2,3,4-trifluorophenyl)-2-hydroxyethanone Investigative 16745302 C14H6F6O2 320.19 C1=CC(=C(C(=C1C(C(=O)C2=C(C(=C(C=C2)F)F)F)O)F)F)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase D07CFJ 1-propionyl-1H-indole-2,3-dione Investigative 589576 C11H9NO3 203.19 CCC(=O)N1C2=CC=CC=C2C(=O)C1=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase D08AOG 2,2-Dimethoxy-1,2-diphenyl-ethanone Investigative 90571 C16H16O3 256.3 COC(C1=CC=CC=C1)(C(=O)C2=CC=CC=C2)OC Ki ~ 100000 nM Poor binder T99799 Cholinesterase D08PWL N-n-propyl-7-methoxytacrine hydrochloride Investigative 52945679 C17H23ClN2O 306.8 CCCNC1=C2CCCCC2=NC3=C1C=C(C=C3)OC.Cl IC50 = 70000 nM Poor binder T99799 Cholinesterase D08UOB 1,2-bis(2,3,5-trifluorophenyl)ethane-1,2-dione Investigative 44428840 C14H4F6O2 318.17 C1=C(C=C(C(=C1C(=O)C(=O)C2=C(C(=CC(=C2)F)F)F)F)F)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase D09LSR 1,2-bis(3,5-difluorophenyl)ethane-1,2-dione Investigative 11437501 C14H6F4O2 282.19 C1=C(C=C(C=C1F)F)C(=O)C(=O)C2=CC(=CC(=C2)F)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0AW4P 1,2-bis(3-fluorophenyl)-2-hydroxyethanon Investigative 10868634 C14H10F2O2 248.22 C1=CC(=CC(=C1)F)C(C(=O)C2=CC(=CC=C2)F)O Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0B1TQ 4-chloro-7-methyl-1H-indole-2,3-dione Investigative 1810509 C9H6ClNO2 195.6 CC1=C2C(=C(C=C1)Cl)C(=O)C(=O)N2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0B8YX 1-Phenyl-2-p-tolyl-ethane-1,2-dione Investigative 75511 C15H12O2 224.25 CC1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0BB2U 4-(2-Oxo-2-phenyl-acetyl)-benzoic acid Investigative 2385968 C15H10O4 254.24 C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C(=O)O Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0CN8Z 1,2-bis(3,4,5-trifluorophenyl)ethane-1,2-dione Investigative 11392969 C14H4F6O2 318.17 C1=C(C=C(C(=C1F)F)F)C(=O)C(=O)C2=CC(=C(C(=C2)F)F)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0D2HH 1,2-bis(2,3,5-trifluorophenyl)-2-hydroxyethanone Investigative 44428834 C14H6F6O2 320.19 C1=C(C=C(C(=C1C(C(=O)C2=C(C(=CC(=C2)F)F)F)O)F)F)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0D7FN 1-(4-Nitro-phenyl)-2-phenyl-ethane-1,2-dione Investigative 283893 C14H9NO4 255.22 C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0DW9J 1,2-bis(4-fluorophenyl)ethane-1,2-dione Investigative 123072 C14H8F2O2 246.21 C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)F)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0E2IG 1,2-bis(2,3,6-trifluorophenyl)ethane-1,2-dione Investigative 44428839 C14H4F6O2 318.17 C1=CC(=C(C(=C1F)C(=O)C(=O)C2=C(C(=CC(=C2)F)F)F)F)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0E5ZP 7-(trifluoromethyl)-1H-indole-2,3-dione Investigative 604575 C9H4F3NO2 215.13 C1=CC2=C(C(=C1)C(F)(F)F)NC(=O)C2=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0EK7H 4,7-dichloro-1H-indole-2,3-dione Investigative 2734793 C8H3Cl2NO2 216.02 C1=CC(=C2C(=C1Cl)C(=O)C(=O)N2)Cl Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0F3RN 1-(4-Chloro-phenyl)-2-phenyl-ethane-1,2-dione Investigative 89801 C14H9ClO2 244.67 C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)Cl Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0G2DQ 5-Nitro-1H-indole-2,3-dione Investigative 4669250 C8H4N2O4 192.13 C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)N2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0JH7C 1,10-phenanthroline-5,6-dione Investigative 72810 C12H6N2O2 210.19 C1=CC2=C(C3=C(C=CC=N3)C(=O)C2=O)N=C1 Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0K6OM 1,2-bis(3,4-difluorophenyl)ethane-1,2-dione Investigative 44428838 C14H6F4O2 282.19 C1=CC(=C(C=C1C(=O)C(=O)C2=CC(=C(C=C2)F)F)F)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0K6PO Acenanthrene-9,10-dione Investigative 316765 C16H8O2 232.23 C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C(=O)C4=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0L1ST 1-(4-Chloro-phenyl)-2-p-tolyl-ethane-1,2-dione Investigative 2777298 C15H11ClO2 258.7 CC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)Cl Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0L4MF 1,2-bis(3,5-difluorophenyl)-2-hydroxyethanone Investigative 44428833 C14H8F4O2 284.2 C1=C(C=C(C=C1F)F)C(C(=O)C2=CC(=CC(=C2)F)F)O Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0LJ2F 1,2-dicyclohexylethane-1,2-dione Investigative 11806279 C14H22O2 222.32 C1CCC(CC1)C(=O)C(=O)C2CCCCC2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0M2ZD 1,2-bis(2,3-difluorophenyl)-2-hydroxyethanone Investigative 44428831 C14H8F4O2 284.2 C1=CC(=C(C(=C1)F)F)C(C(=O)C2=C(C(=CC=C2)F)F)O Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0M5NR 1-butyryl-1H-indole-2,3-dione Investigative 3794313 C12H11NO3 217.22 CCCC(=O)N1C2=CC=CC=C2C(=O)C1=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0MF5Y 3,7,3',4'-TETRAHYDROXYFLAVONE Investigative 5281614 C15H10O6 286.24 C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O Ki = 90000 nM Poor binder T99799 Cholinesterase D0N8YZ 1-(3,4-Dimethyl-phenyl)-2-phenyl-ethane-1,2-dione Investigative 2427416 C16H14O2 238.28 CC1=C(C=C(C=C1)C(=O)C(=O)C2=CC=CC=C2)C Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0N9ZR 6-bromo-5-methyl-1H-indole-2,3-dione Investigative 1718647 C9H6BrNO2 240.05 CC1=CC2=C(C=C1Br)NC(=O)C2=O Ki = 56500 nM Poor binder T99799 Cholinesterase D0NJ4G 5,7-dichloro-1H-indole-2,3-dione Investigative 80771 C8H3Cl2NO2 216.02 C1=C(C=C(C2=C1C(=O)C(=O)N2)Cl)Cl Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0O0LU 1-benzyl-1H-indole-2,3-dione Investigative 264734 C15H11NO2 237.25 C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)C2=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0P1IK 1,2-bis(2,3,4-trifluorophenyl)ethane-1,2-dione Investigative 44428841 C14H4F6O2 318.17 C1=CC(=C(C(=C1C(=O)C(=O)C2=C(C(=C(C=C2)F)F)F)F)F)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0S1MC AP-2243 Investigative 23643351 C27H27NO4 429.5 CCN(CC1=CC=CC=C1)CC2=CC=C(C=C2)C3=CC4=CC(=C(C=C4OC3=O)OC)OC IC50 = 118000 nM Poor binder T99799 Cholinesterase D0S6TW 6,7-Dichloro-1,4-dihydro-quinoxaline-2,3-dione Investigative 1845 C8H4Cl2N2O2 231.03 C1=C2C(=CC(=C1Cl)Cl)NC(=O)C(=O)N2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0SP2O 1H-Indole-2,3-dione Investigative 7054 C8H5NO2 147.13 C1=CC=C2C(=C1)C(=O)C(=O)N2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0T3PW Myricetin Investigative 5281672 C15H10O8 318.23 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O Ki = 71000 nM Poor binder T99799 Cholinesterase D0T5XC 1-(4-Methoxy-phenyl)-2-phenyl-ethane-1,2-dione Investigative 31494 C15H12O3 240.25 COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0U0BV 1,2-bis(3,4-difluorophenyl)-2-hydroxyethanone Investigative 44428830 C14H8F4O2 284.2 C1=CC(=C(C=C1C(C(=O)C2=CC(=C(C=C2)F)F)O)F)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0U3JD 1-methyl-1H-indole-2,3-dione Investigative 16358 C9H7NO2 161.16 CN1C2=CC=CC=C2C(=O)C1=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0UK5A 1,2-Di-p-tolyl-ethane-1,2-dione Investigative 76996 C16H14O2 238.28 CC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0UT1X 1,2-Bis-(3-nitro-phenyl)-ethane-1,2-dione Investigative 101375 C14H8N2O6 300.22 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C(=O)C2=CC(=CC=C2)[N+](=O)[O-] Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0UZ8R 1,2-Bis-(4-methoxy-phenyl)-ethane-1,2-dione Investigative 71043 C16H14O4 270.28 COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)OC Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0Y0XQ 2,3-dioxoindoline-7-carboxylic acid Investigative 2779383 C9H5NO4 191.14 C1=CC2=C(C(=C1)C(=O)O)NC(=O)C2=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0Y6RZ 1,2-bis(3-fluorophenyl)ethane-1,2-dione Investigative 22574214 C14H8F2O2 246.21 C1=CC(=CC(=C1)F)C(=O)C(=O)C2=CC(=CC=C2)F Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0Y7FX BENZIL Investigative 8651 C14H10O2 210.23 C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2 IC50 ~ 100000 nM Poor binder T99799 Cholinesterase D0Z1WQ 3,5-Di-tert-butyl-[1,2]benzoquinone Investigative 76915 C14H20O2 220.31 CC(C)(C)C1=CC(=O)C(=O)C(=C1)C(C)(C)C Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0Z5KQ BENZOIN Investigative 8400 C14H12O2 212.24 C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0Z6CZ 4,5-dichloro-1H-indole-2,3-dione Investigative 5139980 C8H3Cl2NO2 216.02 C1=CC(=C(C2=C1NC(=O)C2=O)Cl)Cl Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0Z8HX 6,7-dichloro-1H-indole-2,3-dione Investigative 16786802 C8H3Cl2NO2 216.02 C1=CC(=C(C2=C1C(=O)C(=O)N2)Cl)Cl Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0ZL6B 1-hexadecyl-1H-indole-2,3-dione Investigative 3772674 C24H37NO2 371.6 CCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(=O)C1=O Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0ZR2T 5-(trifluoromethoxy)-1H-indole-2,3-dione Investigative 2732752 C9H4F3NO3 231.13 C1=CC2=C(C=C1OC(F)(F)F)C(=O)C(=O)N2 Ki ~ 100000 nM Poor binder T99799 Cholinesterase D0ZT5C 1,2-bis(2,4-difluorophenyl)-2-hydroxyethanone Investigative 44428828 C14H8F4O2 284.2 C1=CC(=C(C=C1F)F)C(C(=O)C2=C(C=C(C=C2)F)F)O Ki ~ 100000 nM Poor binder