TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T13201 Carbonic anhydrase I D01WJL Aminosalicylic Acid Approved 4649 C7H7NO3 153.14 C1=CC(=C(C=C1N)O)C(=O)O IC50 = 130000 nM Poor binder T13201 Carbonic anhydrase I D05UYW Dorzolamide Approved 5284549 C10H16N2O4S3 324.4 CCN[C@H]1C[C@@H](S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C Ki = 50000 nM Poor binder T13201 Carbonic anhydrase I D0C8EU Temozolomide Approved 5394 C6H6N6O2 194.15 CN1C(=O)N2C=NC(=C2N=N1)C(=O)N Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I D0H8FH Indapamide Approved 3702 C16H16ClN3O3S 365.8 CC1CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N Ki = 51900 nM Poor binder T13201 Carbonic anhydrase I D0L6DA Valdecoxib Approved 119607 C16H14N2O3S 314.4 CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I D0TG1H Diclofenac Approved 3033 C14H11Cl2NO2 296.1 C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl IC50 ~ 100000 nM Poor binder T13201 Carbonic anhydrase I D0V8QT Chlorambucil Approved 2708 C14H19Cl2NO2 304.2 C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I D02JUW GUAIACOL Phase 3 460 C7H8O2 124.14 COC1=CC=CC=C1O Ki = 60200 nM Poor binder T13201 Carbonic anhydrase I D09XQU Tirapazamine Phase 3 135413511 C7H6N4O2 178.15 . Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I D0H6GI VE-822 Phase 1 59472121 C24H25N5O3S 463.6 CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I D0F8XZ PMID30074415-Compound-20 Patented 19890 C9H6OS 162.21 C1=CC=C2C(=C1)C=CC(=S)O2 Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I D0KP0U PMID26394986-Compound-22 Patented 2662 C17H14F3N3O2S 381.4 CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F Ki = 50000 nM Poor binder T13201 Carbonic anhydrase I D0X2AU Selenium compound 1 Patented 23427 C6H6O2Se 189.08 C1=CC=C(C=C1)[Se](=O)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I D07XPE Phenformin Withdrawn from market 8249 C10H15N5 205.26 C1=CC=C(C=C1)CCN=C(N)N=C(N)N Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B03MEB N,N'-Bis(salicylidene)-1,4-butanediamine Investigative 482317 C18H20N2O2 296.4 C1=CC=C(C(=C1)C=NCCCCN=CC2=CC=CC=C2O)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I B08IMB Benzyl ferulate Investigative 7766335 C17H16O4 284.31 COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=CC=CC=C2)O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B0AC2U 2-Amino-3-(4-chlorophenyl)-7-methoxychromen-4-one Investigative 16450309 C16H12ClNO3 301.72 COC1=CC2=C(C=C1)C(=O)C(=C(O2)N)C3=CC=C(C=C3)Cl IC50 = 95700 nM Poor binder T13201 Carbonic anhydrase I B0F5JE 2-(3-Chloro-4-hydroxyphenyl)-N-(2-methoxyethyl)acetamide Investigative 16221534 C11H14ClNO3 243.68 COCCNC(=O)CC1=CC(=C(C=C1)O)Cl Ki = 158000 nM Poor binder T13201 Carbonic anhydrase I B0HA9F 2H-1-Benzothiopyran-2-thione Investigative 640625 C9H6S2 178.3 C1=CC=C2C(=C1)C=CC(=S)S2 Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I B0HY8W N-[4-(1,4-Diazepan-1-ylsulfonyl)phenyl]-1,3-dimethylpyrazolo[4,3-e][1,2,4]triazin-5-amine Investigative 86288843 C17H22N8O2S 402.5 CC1=NN(C2=C1N=C(N=N2)NC3=CC=C(C=C3)S(=O)(=O)N4CCCNCC4)C Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B0JUH4 1-O,2-O:3-O,4-O-Diisopropylidene-6-oxo-6-(2-sulfamoylhydrazino)-6-deoxy-alpha-D-galactopyranose Investigative 44380656 C12H21N3O8S 367.38 CC1(O[C@H]2[C@@H](O1)[C@H](O[C@H]3[C@@H]2OC(O3)(C)C)C(=O)NNS(=O)(=O)N)C Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I B0LFY8 N-Hydroxy-4-nitrobenzene-1-sulfonamide Investigative 23645542 C6H6N2O5S 218.19 C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NO Ki = 57000 nM Poor binder T13201 Carbonic anhydrase I B0M8OH 2-[2-(3-Nitrophenyl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide Investigative 51059586 C15H10N2O6S 346.3 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-] Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B0O2ZB 2H-1-Benzopyran-2-one, 7-(alpha-D-mannopyranosyloxy)-4-methyl- Investigative 2733782 C16H18O8 338.31 CC1=CC(=O)OC2=C1C=CC(=C2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I B0P3RJ 2-(3-Hydroxyphenyl)ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Investigative 122193251 C18H18O5 314.3 COC1=C(C=CC(=C1)/C=C/C(=O)OCCC2=CC(=CC=C2)O)O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B0RBM2 Chembl4287051 Investigative 145990044 C13H12N4O6S 352.32 C1=CC=C(C=C1)NC(=O)NC2=C(C(=CC(=C2)S(=O)(=O)N)[N+](=O)[O-])O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B0ULA9 Sodium valerate Investigative 3669864 C5H9NaO2 124.11 CCCCC(=O)[O-].[Na+] Ki = 55300 nM Poor binder T13201 Carbonic anhydrase I B0VSU3 Phenol, 2,2'-[1,6-hexanediylbis(nitrilomethylidyne)]bis- Investigative 260228 C20H24N2O2 324.4 C1=CC=C(C(=C1)C=NCCCCCCN=CC2=CC=CC=C2O)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I B0W5SF 4-[(2-Tert-butyl-4,6-diphenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide;perchlorate Investigative 10650450 C28H29ClN2O6S 557.1 CC(C)(C)C1=CC(=CC(=[N+]1CC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O Ki = 110000 nM Poor binder T13201 Carbonic anhydrase I B18TNE 4-Nitro-N-phenylbenzenesulfonamide Investigative 313721 C12H10N2O4S 278.29 C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] IC50 ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B19YJC 5-Naphthalen-2-yl-1H-pyrazole-3-carboxylic acid Investigative 776418 C14H10N2O2 238.24 C1=CC=C2C=C(C=CC2=C1)C3=NNC(=C3)C(=O)O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B1BXO5 2-(Hydroxymethyl)-N-[(2-nitrophenyl)methyl]benzenesulfonamide Investigative 76325452 C14H14N2O5S 322.34 C1=CC=C(C(=C1)CNS(=O)(=O)C2=CC=CC=C2CO)[N+](=O)[O-] Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B1I0WN 2-[2-(2-Nitrophenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one Investigative 76310908 C15H10N2O6S 346.3 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)C3=CC=CC=C3[N+](=O)[O-] Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B1JOZ8 Bis(2-nitrophenyl) diselenide Investigative 101424 C12H8N2O4Se2 402.1 C1=CC=C(C(=C1)[N+](=O)[O-])[Se][Se]C2=CC=CC=C2[N+](=O)[O-] Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I B1KX7Y Isothiocyanic acid Investigative 62481 CHNS 59.09 C(=N)=S Ki = 200000 nM Poor binder T13201 Carbonic anhydrase I B1QWP0 4-[(2,4-Diphenyl-6-propylpyridin-1-ium-1-yl)methyl]benzenesulfonamide;perchlorate Investigative 10792608 C27H27ClN2O6S 543 CCCC1=[N+](C(=CC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)S(=O)(=O)N.[O-]Cl(=O)(=O)=O Ki = 130000 nM Poor binder T13201 Carbonic anhydrase I B1S0OG 2-[3-(4-Chlorophenyl)-4-cyanopyrazol-1-yl]-1,3-benzothiazole-6-sulfonamide Investigative 118721401 C17H10ClN5O2S2 415.9 C1=CC(=CC=C1C2=NN(C=C2C#N)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N)Cl Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B1TK7R Isothiocyanatosodium Investigative 10953423 CNNaS 81.07 C(=[N-])=S.[Na+] Ki = 200000 nM Poor binder T13201 Carbonic anhydrase I B2F1WP 2-[(2,6-Difluorophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one Investigative 76314549 C14H9F2NO3S 309.29 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=C(C=CC=C3F)F Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B2GTY0 Peroxydisulfuric acid Investigative 24413 H2O8S2 194.15 OS(=O)(=O)OOS(=O)(=O)O Ki = 107000 nM Poor binder T13201 Carbonic anhydrase I B2IK1R N-(5-Sulfamoyl-2,3-dihydro-1H-inden-1-yl)acetamide Investigative 11680415 C11H14N2O3S 254.31 CC(=O)NC1CCC2=C1C=CC(=C2)S(=O)(=O)N Ki = 56500 nM Poor binder T13201 Carbonic anhydrase I B2P3NH 2,3-Dihydro-2-(2-butenyl)-3-oxo-1,2-benzisothiazole 1,1-dioxide Investigative 15438999 C11H11NO3S 237.28 C/C=C/CN1C(=O)C2=CC=CC=C2S1(=O)=O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B2Q5RZ 4-[(1,3-Dimethylpyrazolo[4,3-e][1,2,4]triazin-5-yl)amino]-N-(2-morpholin-4-ylethyl)benzenesulfonamide Investigative 90654800 C18H24N8O3S 432.5 CC1=NN(C2=C1N=C(N=N2)NC3=CC=C(C=C3)S(=O)(=O)NCCN4CCOCC4)C Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B2QMC4 N-Hydroxy-4-methoxybenzenesulfonamide Investigative 12635073 C7H9NO4S 203.22 COC1=CC=C(C=C1)S(=O)(=O)NO Ki = 68000 nM Poor binder T13201 Carbonic anhydrase I B2U4QH Thiochromen-2-one Investigative 10953838 C9H6OS 162.21 C1=CC=C2C(=C1)C=CC(=O)S2 Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I B2VGP3 (E)-4-((4-(Benzyloxy)benzylidene)amino)benzenesulfonamide Investigative 1377410 C20H18N2O3S 366.4 C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NC3=CC=C(C=C3)S(=O)(=O)N Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B34OAG 2-(2-Oxochromen-7-yl)oxyethyl 4-methylbenzenesulfonate Investigative 57386890 C18H16O6S 360.4 CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC3=C(C=C2)C=CC(=O)O3 Ki = 66300 nM Poor binder T13201 Carbonic anhydrase I B36YTS 3-(4-Methoxyphenyl)-4-tosyl-3,4-dihydro-2H-1,4-benzoselenazine Investigative 101564149 C22H21NO3SSe 458.4 CC1=CC=C(C=C1)S(=O)(=O)N2C(C[Se]C3=CC=CC=C32)C4=CC=C(C=C4)OC Ki = 79100 nM Poor binder T13201 Carbonic anhydrase I B3AIB1 2-[(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione Investigative 341082 C16H10N2O5S 342.3 C1=CC=C2C(=C1)C(=O)N(C2=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B3C1UB 5-(4-Methoxyphenyl)-1H-pyrazole-3-carboxylic acid Investigative 1085887 C11H10N2O3 218.21 COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B3DY2A [(3-Methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl)amino] sulfamate Investigative 137653170 C6H7N7O5S 289.23 CN1C(=O)N2C=NC(=C2N=N1)C(=O)NOS(=O)(=O)N Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B3JR9O (2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-2-methyl-6-(sulfamoylamino)oxane Investigative 56683627 C6H14N2O6S 242.25 C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)NS(=O)(=O)N)O)O)O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B3U5IQ 2-(2-Fluorobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide Investigative 2471990 C14H10FNO3S 291.3 C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3S2(=O)=O)F Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B41EJD N-(2-Fluorobenzylidene)(phenyl)methanamine Investigative 44221747 C14H12FN 213.25 C1=CC=C(C=C1)CN=CC2=CC=CC=C2F Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I B45FEU 2,6-Dimethylphenol Investigative 11335 C8H10O 122.16 CC1=C(C(=CC=C1)C)O Ki = 198300 nM Poor binder T13201 Carbonic anhydrase I B49DVK 2-[4-Cyano-3-(4-nitrophenyl)pyrazol-1-yl]-1,3-benzothiazole-6-sulfonamide Investigative 118721402 C17H10N6O4S2 426.4 C1=CC(=CC=C1C2=NN(C=C2C#N)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N)[N+](=O)[O-] Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B4AZQ5 Benzyl-(2-fluoro-benzyl)-amine Investigative 810867 C14H14FN 215.27 C1=CC=C(C=C1)CNCC2=CC=CC=C2F Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I B4MB8P 6-Bromo-2,2-dioxo-1,2-benzoxathiine Investigative 20195196 C8H5BrO3S 261.089 C1=CC2=C(C=CS(=O)(=O)O2)C=C1Br Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I B4NO8M 3-(4-Methoxyphenyl)-4-tosyl-6-chloro-3,4-dihydro-2H-1,4-benzoselenazine Investigative 132547793 C22H20ClNO3SSe 492.9 CC1=CC=C(C=C1)S(=O)(=O)N2C(C[Se]C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)OC Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I B4Q6JZ 2-[4-Cyano-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-benzothiazole-6-sulfonamide Investigative 118721399 C18H13N5O3S2 411.5 COC1=CC=C(C=C1)C2=NN(C=C2C#N)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B4R5QD Phenol, 2,2'-[1,4-butanediylbis(iminomethylene)]bis- Investigative 12049163 C18H24N2O2 300.4 C1=CC=C(C(=C1)CNCCCCNCC2=CC=CC=C2O)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I B4WT0I 3-Chloro-4-trifluoromethanesulfonylamino-benzenesulfonamide Investigative 10640797 C7H6ClF3N2O4S2 338.7 C1=CC(=C(C=C1S(=O)(=O)N)Cl)NS(=O)(=O)C(F)(F)F Ki = 180000 nM Poor binder T13201 Carbonic anhydrase I B4X7GT N-(2-Aminoethyl)-4-[(1,3-dimethylpyrazolo[4,3-e][1,2,4]triazin-5-yl)amino]benzenesulfonamide Investigative 78319160 C14H18N8O2S 362.41 CC1=NN(C2=C1N=C(N=N2)NC3=CC=C(C=C3)S(=O)(=O)NCCN)C Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B51DZX 2-Sulfamoyl-4-[ethyl(morpholinocarbonothioylthio)amino]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide Investigative 44269023 C15H23N3O5S5 485.7 CCN(C1CC(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C)SC(=S)N3CCOCC3 Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B51QNS (2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-2-(hydroxymethyl)-6-(sulfamoylamino)oxane Investigative 56666719 C6H14N2O7S 258.25 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)NS(=O)(=O)N)O)O)O)O Ki = 65800 nM Poor binder T13201 Carbonic anhydrase I B53EFH 6-Acetyl-7-(2-adamantan-1-yl-ethoxy)-chromen-2-one Investigative 52944864 C23H26O4 366.4 CC(=O)C1=C(C=C2C(=C1)C=CC(=O)O2)OCCC34CC5CC(C3)CC(C5)C4 Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I B59AEJ N-Methylsaccharin Investigative 27290 C8H7NO3S 197.21 CN1C(=O)C2=CC=CC=C2S1(=O)=O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B59HZR Sulfamic acid, cyclohexyl ester Investigative 13580495 C6H13NO3S 179.24 C1CCC(CC1)OS(=O)(=O)N Ki = 59000 nM Poor binder T13201 Carbonic anhydrase I B59MQO 2-[[6-[(2-Hydroxyphenyl)methylamino]hexylamino]methyl]phenol Investigative 1957305 C20H28N2O2 328.4 C1=CC=C(C(=C1)CNCCCCCCNCC2=CC=CC=C2O)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I B5E6UV N-Hydroxybenzamide Investigative 10313 C7H7NO2 137.14 C1=CC=C(C=C1)C(=O)NO Ki = 83100 nM Poor binder T13201 Carbonic anhydrase I B5E9YP 3-(3,4-Dimethylphenyl)-1H-pyrazole-5-carboxylic acid Investigative 4598704 C12H12N2O2 216.24 CC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)O)C Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B5UC6Z Hymecromone Investigative 5280567 C10H8O3 176.17 CC1=CC(=O)OC2=C1C=CC(=C2)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I B5UTQ4 Trifluoro-methanesulfonic acid 4-sulfamoyl-benzyl ester Investigative 10710739 C8H8F3NO5S2 319.3 C1=CC(=CC=C1COS(=O)(=O)C(F)(F)F)S(=O)(=O)N Ki = 135000 nM Poor binder T13201 Carbonic anhydrase I B5V1CM (E)-4-(6-Methoxynaphthalen-2-yl)-1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]but-3-en-2-one Investigative 101913753 C21H24O7 388.4 COC1=CC2=C(C=C1)C=C(C=C2)/C=C/C(=O)C[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B6CU0R 4-Methyl-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide Investigative 110347401 C21H26N2O3S 386.5 CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCCCC3 Ki = 100400 nM Poor binder T13201 Carbonic anhydrase I B6G5WX 3,4-Dimethoxy-N-phenylbenzenesulfonamide Investigative 740560 C14H15NO4S 293.34 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)OC IC50 ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B6K2SQ 5-[1-Hydroxy-2-[[2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)ethyl]diselanyl]ethyl]-2-methoxyphenol Investigative 137642864 C18H22O6Se2 492.3 COC1=C(C=C(C=C1)C(C[Se][Se]CC(C2=CC(=C(C=C2)OC)O)O)O)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I B6N0FA 5-(4-Chlorophenyl)-1H-pyrazole-3-carboxylic acid Investigative 738819 C10H7ClN2O2 222.63 C1=CC(=CC=C1C2=NNC(=C2)C(=O)O)Cl Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B6NXA7 Heptafluoroniobium(2-) Investigative 4712722 F7Nb-2 225.895 F[Nb-2](F)(F)(F)(F)(F)F Ki = 200000 nM Poor binder T13201 Carbonic anhydrase I B6TPM1 6-Nitrobenzo[d]isothiazol-3(2H)-one 1,1-dioxide Investigative 100187 C7H4N2O5S 228.18 C1=CC2=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B6YRW0 6-(Benzyloxy)-1,2-benzooxathiin 2,2-dioxide Investigative 71716939 C15H12O4S 288.3 C1=CC=C(C=C1)COC2=CC3=C(C=C2)OS(=O)(=O)C=C3 Ki = 93000 nM Poor binder T13201 Carbonic anhydrase I B6Z4IJ N,N'-Bis(2-aminoethyl)-1,3-propanediamine Investigative 78479 C7H20N4 160.26 C(CNCCN)CNCCN Ki = 115000 nM Poor binder T13201 Carbonic anhydrase I B7G4LX 1-[(E)-[2-(Dimethylamino)phenyl]methylideneamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Investigative 44435856 C12H14N6OS2 322.4 CN(C)C1=CC=CC=C1/C=N/NC(=O)NC2=NNC(=S)S2 Ki = 125000 nM Poor binder T13201 Carbonic anhydrase I B7JL9K 2H-1-Benzopyran-2-one, 7-(2-propynyloxy)- Investigative 3051101 C12H8O3 200.19 C#CCOC1=CC2=C(C=C1)C=CC(=O)O2 Ki = 72000 nM Poor binder T13201 Carbonic anhydrase I B7KB3H Thiocyanic acid Investigative 781 CHNS 59.09 C(#N)S Ki = 200000 nM Poor binder T13201 Carbonic anhydrase I B7KBA1 [(2R,3R,4R,5S,6S)-3,4,5-Triacetyloxy-6-[(E)-4-(6-methoxynaphthalen-2-yl)-2-oxobut-3-enyl]oxan-2-yl]methyl acetate Investigative 118712659 C29H32O11 556.6 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CC(=O)/C=C/C2=CC3=C(C=C2)C=C(C=C3)OC)OC(=O)C)OC(=O)C)OC(=O)C Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B7N3DZ Sodium thiocyanate Investigative 516871 CNNaS 81.07 C(#N)[S-].[Na+] Ki = 200000 nM Poor binder T13201 Carbonic anhydrase I B7Y2SN 6-[4-(3-Methylphenyl)triazol-1-yl]-1,1-dioxo-1,2-benzothiazol-3-one Investigative 90654824 C16H12N4O3S 340.4 CC1=CC(=CC=C1)C2=CN(N=N2)C3=CC4=C(C=C3)C(=O)NS4(=O)=O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B80VYC 6-Acetyl-7-(benzyloxy)-2H-chromen-2-one Investigative 52943614 C18H14O4 294.3 CC(=O)C1=C(C=C2C(=C1)C=CC(=O)O2)OCC3=CC=CC=C3 Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I B82RFJ 1,3-Dimethyl-5-(methylsulfonyl)-1H-pyrazolo[4,3-e][1,2,4]triazine Investigative 50741845 C7H9N5O2S 227.25 CC1=NN(C2=C1N=C(N=N2)S(=O)(=O)C)C Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B84IMW 1,3-Dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[4,3-e][1,2,4]triazin-5-amine Investigative 90654804 C16H19N7O2S 373.4 CC1=NN(C2=C1N=C(N=N2)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B85XES 3-((Benzylimino)methyl)benzoic acid Investigative 44221944 C15H13NO2 239.27 C1=CC=C(C=C1)CN=CC2=CC(=CC=C2)C(=O)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I B86CUA 1-(2-Nitrophenyl)-N-[6-[(2-nitrophenyl)methylideneamino]hexyl]methanimine Investigative 260244 C20H22N4O4 382.4 C1=CC=C(C(=C1)C=NCCCCCCN=CC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-] Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I B8D2BK N-[(S)-1-[(Phenylseleno)methyl]-3-methylbutyl]-p-toluenesulfonamide Investigative 102311866 C19H25NO2SSe 410.4 CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(C)C)C[Se]C2=CC=CC=C2 Ki = 67300 nM Poor binder T13201 Carbonic anhydrase I B8G1ND 6-Hydroxycoumarin Investigative 99477 C9H6O3 162.14 C1=CC2=C(C=CC(=O)O2)C=C1O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I B8GM6Q 2,2-Dioxo-1,2lambda6-benzoxathiin-6-ol Investigative 71717570 C8H6O4S 198.2 C1=CC2=C(C=CS(=O)(=O)O2)C=C1O Ki = 91000 nM Poor binder T13201 Carbonic anhydrase I B8KHF6 N,4-Dimethyl-N-phenylbenzenesulfonamide Investigative 220023 C14H15NO2S 261.339 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2 IC50 ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B8M9RI N,N-Dicyclohexylsulfamide Investigative 20360268 C12H24N2O2S 260.399 C1CCC(CC1)N(C2CCCCC2)S(=O)(=O)N Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I B8P0IO Tert-butyl 4-methyl-2-oxo-2H-chromen-7-ylcarbamate Investigative 57387137 C15H17NO4 275.3 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)OC(C)(C)C Ki = 91700 nM Poor binder T13201 Carbonic anhydrase I B8QPJ1 Sulfamic acid octadecyl ester Investigative 11416806 C18H39NO3S 349.6 CCCCCCCCCCCCCCCCCCOS(=O)(=O)N Ki = 65000 nM Poor binder T13201 Carbonic anhydrase I B8TD4I 2-Allyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide Investigative 95840 C10H9NO3S 223.25 C=CCN1C(=O)C2=CC=CC=C2S1(=O)=O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B8TDZ9 Spermine(hbbh) Investigative 389642 C20H42N4O4 402.6 CC(C)(C)OC(=O)N(CCCCN(CCCN)C(=O)OC(C)(C)C)CCCN Ki = 137000 nM Poor binder T13201 Carbonic anhydrase I B8Y0VA 2-[(3-Bromophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione Investigative 8084575 C14H10BrNO3S 352.2 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=CC(=CC=C3)Br Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B94CVN 1-[(E)-(4-Hydroxy-3-methoxyphenyl)methylideneamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Investigative 136104491 C11H11N5O3S2 325.4 COC1=C(C=CC(=C1)/C=N/NC(=O)NC2=NNC(=S)S2)O Ki = 51630 nM Poor binder T13201 Carbonic anhydrase I B97PFE 1,3-Dibromo-5-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-2,4,6-trimethoxybenzene Investigative 23426698 C18H18Br4O5 633.9 COC1=C(C(=C(C(=C1)CC2=C(C(=C(C(=C2OC)Br)OC)Br)OC)Br)Br)OC Ki = 61140 nM Poor binder T13201 Carbonic anhydrase I B9HVM6 3-(4-Hydroxyphenyl)-1H-pyrazole-5-carboxylic acid Investigative 135645043 C10H8N2O3 204.18 C1=CC(=CC=C1C2=NNC(=C2)C(=O)O)O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B9QN6R 4-{2-[(Trifluoromethyl)sulfonyl]hydrazino}benzenesulfonamide Investigative 10519650 C7H8F3N3O4S2 319.3 C1=CC(=CC=C1NNS(=O)(=O)C(F)(F)F)S(=O)(=O)N Ki = 155500 nM Poor binder T13201 Carbonic anhydrase I B9RK1L 3-[(3-Bromophenyl)methoxy]-1,2-benzothiazole 1,1-dioxide Investigative 76314550 C14H10BrNO3S 352.2 C1=CC=C2C(=C1)C(=NS2(=O)=O)OCC3=CC(=CC=C3)Br Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B9YHD3 Chembl4293518 Investigative 145988129 C12H12N4O7S 356.31 C1=COC(=C1)CNC(=O)NC2=C(C(=CC(=C2)S(=O)(=O)N)[N+](=O)[O-])O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I B9ZCR0 Methyl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Investigative 728666 C17H19NO4S 333.4 CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC Ki = 63700 nM Poor binder T13201 Carbonic anhydrase I BA01YE 2-[(3-Nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one Investigative 3657160 C14H10N2O5S 318.31 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=CC(=CC=C3)[N+](=O)[O-] Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BA1HF6 Sodium selenocyanate Investigative 13927398 CNNaSe 127.98 C(#N)[Se-].[Na+] Ki = 85000 nM Poor binder T13201 Carbonic anhydrase I BA8W6L 1,3-Dimethyl-5-phenylamino-1H-pyrazolo[4,3-e][1,2,4]triazine Investigative 78319159 C12H12N6 240.26 CC1=NN(C2=C1N=C(N=N2)NC3=CC=CC=C3)C Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BAI0J6 2-(2-Oxopropyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide Investigative 706033 C10H9NO4S 239.25 CC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BAMS70 3-Bromo-4-trifluoromethanesulfonylamino-benzenesulfonamide Investigative 10738713 C7H6BrF3N2O4S2 383.2 C1=CC(=C(C=C1S(=O)(=O)N)Br)NS(=O)(=O)C(F)(F)F Ki = 200000 nM Poor binder T13201 Carbonic anhydrase I BAP2U0 Sodium 3-Methylvalerate Investigative 54584941 C6H11NaO2 138.14 CCC(C)CC(=O)[O-].[Na+] Ki = 104000 nM Poor binder T13201 Carbonic anhydrase I BAT46O 3-(4-Ethylphenyl)-1H-pyrazole-5-carboxylic acid Investigative 3524248 C12H12N2O2 216.24 CCC1=CC=C(C=C1)C2=NNC(=C2)C(=O)O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BB01RC 1,1-Dioxo-6-(4-phenyltriazol-1-yl)-1,2-benzothiazol-3-one Investigative 90654823 C15H10N4O3S 326.3 C1=CC=C(C=C1)C2=CN(N=N2)C3=CC4=C(C=C3)C(=O)NS4(=O)=O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BB39EI Methyl 2-(4-methylphenylsulfonamido)acetate Investigative 562880 C10H13NO4S 243.28 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OC Ki = 105900 nM Poor binder T13201 Carbonic anhydrase I BB6OS5 6-(4-Methylsulfonylphenyl)-N-phenyl-3-(sulfamoylamino)pyrazine-2-carboxamide Investigative 121382833 C18H17N5O5S2 447.5 CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)NS(=O)(=O)N Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BBFG58 4-Methyl-N-pentan-2-ylbenzenesulfonamide Investigative 3703019 C12H19NO2S 241.35 CCCC(C)NS(=O)(=O)C1=CC=C(C=C1)C IC50 ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BBO4W8 Trifluoro-methanesulfonic acid 2-(4-sulfamoyl-phenyl)-ethyl ester Investigative 10759040 C9H10F3NO5S2 333.3 C1=CC(=CC=C1CCOS(=O)(=O)C(F)(F)F)S(=O)(=O)N Ki = 80000 nM Poor binder T13201 Carbonic anhydrase I BBQ42W 7-Allyloxycoumarin Investigative 327169 C12H10O3 202.21 C=CCOC1=CC2=C(C=C1)C=CC(=O)O2 Ki = 72900 nM Poor binder T13201 Carbonic anhydrase I BC0QY6 2-(3-Fluorobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide Investigative 2952737 C14H10FNO3S 291.3 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=CC(=CC=C3)F Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BC58JS Chembl4291361 Investigative 145987366 C14H16ClN3O9S 437.8 CC1=CC(=[N+](C(=C1)C)C2=C(C(=CC(=C2)S(=O)(=O)N)[N+](=O)[O-])O)C.[O-]Cl(=O)(=O)=O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BC61MZ (2S)-2-Amino-4-[(3-methoxy-6H-benzo[c]thiochromen-9-yl)amino]butanoic acid Investigative 127026979 C18H20N2O3S 344.4 COC1=CC2=C(C=C1)C3=C(CS2)C=CC(=C3)NCC[C@@H](C(=O)O)N Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BC6P3G 2H-1-Benzopyran-2-one, 4-methyl-7-(beta-D-ribopyranosyloxy)- Investigative 191826 C15H16O7 308.28 CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@@H]([C@@H](CO3)O)O)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BCN7W8 N-Hydroxy-3-(2-ethoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide Investigative 76335747 C12H14N2O4 250.25 CCOC1=CC=CC=C1C2=NOC(C2)C(=O)NO Ki = 72200 nM Poor binder T13201 Carbonic anhydrase I BCS6V9 2-(Trifluoromethylsulfonylamino)benzenesulfonamide Investigative 10566405 C7H7F3N2O4S2 304.3 C1=CC=C(C(=C1)NS(=O)(=O)C(F)(F)F)S(=O)(=O)N Ki = 175000 nM Poor binder T13201 Carbonic anhydrase I BCU2R4 (E)-Benzyl 3-(4-hydroxyphenyl)acrylate Investigative 10083644 C16H14O3 254.28 C1=CC=C(C=C1)COC(=O)/C=C/C2=CC=C(C=C2)O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BCY10H Methyl 3-[[(2-methylpropan-2-yl)oxycarbonyl-(2-propylpentyl)sulfamoyl]amino]propanoate Investigative 25258361 C17H34N2O6S 394.5 CCCC(CCC)CN(C(=O)OC(C)(C)C)S(=O)(=O)NCCC(=O)OC Ki = 62200 nM Poor binder T13201 Carbonic anhydrase I BD1CR0 N,N-Diisopropylsulfamide Investigative 19782950 C6H16N2O2S 180.27 CC(C)N(C(C)C)S(=O)(=O)N Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BD29QU 4-Methyl-N-phenylbenzenesulfonamide Investigative 2456 C13H13NO2S 247.31 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2 IC50 ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BD5T4V 4-Methoxy-2(5H)-furanone Investigative 643477 C5H6O3 114.1 COC1=CC(=O)OC1 Ki = 68700 nM Poor binder T13201 Carbonic anhydrase I BD6ZQ4 4-[(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl]benzonitrile Investigative 2089520 C15H10N2O3S 298.3 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=CC=C(C=C3)C#N Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BDF5M7 6-[4-(4-Fluoro-3-methylphenyl)triazol-1-yl]-1,1-dioxo-1,2-benzothiazol-3-one Investigative 90654827 C16H11FN4O3S 358.3 CC1=C(C=CC(=C1)C2=CN(N=N2)C3=CC4=C(C=C3)C(=O)NS4(=O)=O)F Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BDGT91 2-[(3,4-Dichlorophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione Investigative 7382231 C14H9Cl2NO3S 342.2 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=CC(=C(C=C3)Cl)Cl Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BE7PQ2 Sodium isobutyrate Investigative 23674499 C4H7NaO2 110.09 CC(C)C(=O)[O-].[Na+] Ki = 120000 nM Poor binder T13201 Carbonic anhydrase I BE9U8Z 3-(4-Isopropylphenyl)-1H-pyrazole-5-carboxylic acid Investigative 975396 C13H14N2O2 230.26 CC(C)C1=CC=C(C=C1)C2=NNC(=C2)C(=O)O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BEFR35 Coumaphos Investigative 2871 C14H16ClO5PS 362.8 CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C Ki = 61700 nM Poor binder T13201 Carbonic anhydrase I BEH5W9 N,N'-Bis(salicylidene)-1,3-propanediamine Investigative 67125 C17H18N2O2 282.34 C1=CC=C(C(=C1)C=NCCCN=CC2=CC=CC=C2O)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BEM98Q 3-(4-Ethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide Investigative 76310328 C12H15N3O3 249.27 CCOC1=CC=C(C=C1)C2=NOC(C2)C(=O)NN Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BEQ01A N-Hydroxy-3-(2-fluorophenyl)-5-methyl-4,5-dihydroisoxazole-5-carboxamide Investigative 76321274 C11H11FN2O3 238.21 CC1(CC(=NO1)C2=CC=CC=C2F)C(=O)NO Ki = 64000 nM Poor binder T13201 Carbonic anhydrase I BF29WR 4-[2-(2,4-Diphenyl-6-propan-2-ylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide;perchlorate Investigative 10626619 C28H29ClN2O6S 557.1 CC(C)C1=CC(=CC(=[N+]1CCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O Ki = 94000 nM Poor binder T13201 Carbonic anhydrase I BF3J8Y 2,2,2-Trifluoro-N-[3-[4-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]butylamino]propyl]acetamide Investigative 388776 C14H24F6N4O2 394.36 C(CCNCCCNC(=O)C(F)(F)F)CNCCCNC(=O)C(F)(F)F Ki = 136000 nM Poor binder T13201 Carbonic anhydrase I BF48BA 3-(4-Methoxyphenyl)-4-(2-nitrophenylsulfonyl)-6-chloro-3,4-dihydro-2H-1,4-benzoselenazine Investigative 132547798 C21H17ClN2O5SSe 523.9 COC1=CC=C(C=C1)C2C[Se]C3=C(N2S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C=C(C=C3)Cl Ki = 80100 nM Poor binder T13201 Carbonic anhydrase I BF7U4L N,N'-Bis(salicylidene)ethylenediamine Investigative 26518 C16H16N2O2 268.31 C1=CC=C(C(=C1)C=NCCN=CC2=CC=CC=C2O)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BFGJ42 Methyl 2,2-dioxo-1,2lambda6-benzoxathiine-6-sulfonate Investigative 71717571 C9H8O6S2 276.3 COS(=O)(=O)C1=CC2=C(C=C1)OS(=O)(=O)C=C2 Ki = 99000 nM Poor binder T13201 Carbonic anhydrase I BFU40J Methyl 3-[(2-Hydroxyphenoxy)Sulfonylamino]Propanoate Investigative 25258358 C10H13NO6S 275.28 COC(=O)CCNS(=O)(=O)OC1=CC=CC=C1O Ki = 88700 nM Poor binder T13201 Carbonic anhydrase I BG2QZ7 N-Benzyl-4-{[4-(benzylcarbamoyl)-5-chloro-2-sulfamoylphenyl]disulfanyl}-2-chloro-5-sulfamoylbenzamide Investigative 44416379 C28H24Cl2N4O6S4 711.7 C1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2Cl)SSC3=C(C=C(C(=C3)Cl)C(=O)NCC4=CC=CC=C4)S(=O)(=O)N)S(=O)(=O)N Ki = 82100 nM Poor binder T13201 Carbonic anhydrase I BG9IX6 1-Bromo-3,5-bis[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-2,4,6-trimethoxybenzene Investigative 66573254 C27H27Br5O7 863 COC1=C(C(=C(C(=C1)CC2=C(C(=C(C(=C2OC)Br)OC)CC3=CC(=C(C(=C3Br)Br)OC)OC)OC)Br)Br)OC Ki = 93420 nM Poor binder T13201 Carbonic anhydrase I BGJH51 1-[(E)-Furan-2-ylmethylideneamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Investigative 44435866 C8H7N5O2S2 269.3 C1=COC(=C1)/C=N/NC(=O)NC2=NNC(=S)S2 Ki = 73250 nM Poor binder T13201 Carbonic anhydrase I BGPR53 N-Hydroxy-4-methylbenzenesulfonamide Investigative 10081163 C7H9NO3S 187.22 CC1=CC=C(C=C1)S(=O)(=O)NO Ki = 51000 nM Poor binder T13201 Carbonic anhydrase I BGU86Y 4-(4-Fluorophenyl)-1-(4-methanesulfonylphenyl)-3-(trifluoromethyl)-1H-pyrazole Investigative 9952009 C17H12F4N2O2S 384.3 CS(=O)(=O)C1=CC=C(C=C1)N2C=C(C(=N2)C(F)(F)F)C3=CC=C(C=C3)F IC50 ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BH29CO Sodium Isoselenocyanate Investigative 15815634 CNNaSe 127.98 C(=[N-])=[Se].[Na+] Ki = 85000 nM Poor binder T13201 Carbonic anhydrase I BH62EC 4-[2-(2-Tert-butyl-4,6-diphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide;perchlorate Investigative 10531121 C29H31ClN2O6S 571.1 CC(C)(C)C1=CC(=CC(=[N+]1CCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O Ki = 92000 nM Poor binder T13201 Carbonic anhydrase I BH9RG4 2-[[3-[(2-Hydroxyphenyl)methylamino]propylamino]methyl]phenol Investigative 2283723 C17H22N2O2 286.37 C1=CC=C(C(=C1)CNCCCNCC2=CC=CC=C2O)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BH9TQ7 1-[2-[4-(4-Acetylphenyl)piperazin-1-yl]ethyl]-3-(4-sulfamoylphenyl)urea Investigative 137631798 C21H27N5O4S 445.5 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)NC3=CC=C(C=C3)S(=O)(=O)N Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BHC3S5 1,3-Dimethyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrazolo[4,3-e][1,2,4]triazin-5-amine Investigative 90654798 C17H21N7O2S 387.5 CC1=NN(C2=C1N=C(N=N2)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BHGC36 4-Methyl-N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butyl]selanylbutan-2-yl]benzenesulfonamide Investigative 137643671 C24H36N2O4S2Se 559.7 CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C[Se]C[C@H](C(C)C)NS(=O)(=O)C2=CC=C(C=C2)C)C(C)C Ki = 89800 nM Poor binder T13201 Carbonic anhydrase I BHIG92 2-[(2-Amino-4-methylphenyl)diselanyl]-5-methylaniline Investigative 137634525 C14H16N2Se2 370.2 CC1=CC(=C(C=C1)[Se][Se]C2=C(C=C(C=C2)C)N)N Ki = 75900 nM Poor binder T13201 Carbonic anhydrase I BHJL57 Bis[2-(tosylamino)phenyl] perselenide Investigative 5272990 C26H24N2O4S2Se2 650.6 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2[Se][Se]C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C Ki = 63600 nM Poor binder T13201 Carbonic anhydrase I BHKO28 3-(4-Methylphenyl)-1H-pyrazole-5-carboxylic acid Investigative 818267 C11H10N2O2 202.21 CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BHR01Z 2-{4-Chlorobenzyloxy[(4-methoxyphenyl)sulfonyl]amino}-N-hydroxyacetamide Investigative 44423676 C16H17ClN2O6S 400.8 COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NO)OCC2=CC=C(C=C2)Cl Ki = 156000 nM Poor binder T13201 Carbonic anhydrase I BHT81U 2-(Naphthalen-1-ylmethyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide Investigative 706849 C18H13NO3S 323.4 C1=CC=C2C(=C1)C=CC=C2CN3C(=O)C4=CC=CC=C4S3(=O)=O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BI4D0K 4-Amino-N-hydroxybenzenesulfonamide Investigative 240910 C6H8N2O3S 188.21 C1=CC(=CC=C1N)S(=O)(=O)NO Ki = 62000 nM Poor binder T13201 Carbonic anhydrase I BI5ZC4 2-[3-(4-Chlorophenoxy)-2-hydroxypropyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide Investigative 295450 C16H14ClNO5S 367.8 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(COC3=CC=C(C=C3)Cl)O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BI8K5P 4-((3,5-Dibromo-2-hydroxy-benzylidene)-amino)-benzenesulfonamide Investigative 1286583 C13H10Br2N2O3S 434.1 C1=CC(=CC=C1N=CC2=C(C(=CC(=C2)Br)Br)O)S(=O)(=O)N Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BI94ZP 3-(2-Ethoxyphenyl)-4,5-dihydroisoxazole-5-carbohydrazide Investigative 76317538 C12H15N3O3 249.27 CCOC1=CC=CC=C1C2=NOC(C2)C(=O)NN Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BIA69W 4-[(1,3-Dimethylpyrazolo[4,3-e][1,2,4]triazin-5-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide Investigative 78319161 C14H17N7O3S 363.4 CC1=NN(C2=C1N=C(N=N2)NC3=CC=C(C=C3)S(=O)(=O)NCCO)C Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BIG8R9 3-Trifluoromethanesulfonylamino-benzenesulfonamide Investigative 10638194 C7H7F3N2O4S2 304.3 C1=CC(=CC(=C1)S(=O)(=O)N)NS(=O)(=O)C(F)(F)F Ki = 188400 nM Poor binder T13201 Carbonic anhydrase I BIH87X Bis(3-methoxysalicylidene)ethylenediamine Investigative 5232078 C18H20N2O4 328.4 COC1=CC=CC(=C1O)C=NCCN=CC2=C(C(=CC=C2)OC)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BIW8S2 N,N-Dibenzylsulfamide Investigative 13801611 C14H16N2O2S 276.36 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)N Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BJ71IG N,N'-Bis(2-hydroxybenzyl)ethylenediamine Investigative 199210 C16H20N2O2 272.34 C1=CC=C(C(=C1)CNCCNCC2=CC=CC=C2O)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BJC64B 2-Bromo-1,3,5-trimethoxy-4-(2,3-dibromo-4,5-dimethoxybenzyl)benzene Investigative 66572313 C18H19Br3O5 555.1 COC1=CC(=C(C(=C1CC2=CC(=C(C(=C2Br)Br)OC)OC)OC)Br)OC Ki = 57870 nM Poor binder T13201 Carbonic anhydrase I BJG59V 2-[(2E)-2-Hydroxyiminopropyl]-1,1-dioxo-1,2-benzothiazol-3-one Investigative 76310909 C10H10N2O4S 254.26 C/C(=N\\O)/CN1C(=O)C2=CC=CC=C2S1(=O)=O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BJQN91 1,1-Dioxo-2-phenacyl-1,2-benzothiazol-3-one Investigative 658040 C15H11NO4S 301.3 C1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BJW8Q5 3-[4-(Methylaminomethyl)phenyl]-5-[6-(4-propan-2-ylsulfonylphenyl)-3-(sulfamoylamino)pyrazin-2-yl]-1,2-oxazole Investigative 121382897 C24H26N6O5S2 542.6 CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)NS(=O)(=O)N Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BJXK84 1-Oxo-1-(2-sulfamoylhydrazino)-2-O,3-O:4-O,5-O-diisopropylidene-1-deoxy-beta-D-fructopyranose Investigative 44380677 C12H21N3O8S 367.38 CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)C(=O)NNS(=O)(=O)N)C Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BK5T4F 2-[[5-[(2-Hydroxyphenyl)methylamino]pentylamino]methyl]phenol Investigative 16078837 C19H26N2O2 314.4 C1=CC=C(C(=C1)CNCCCCCNCC2=CC=CC=C2O)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BK97LM 6,8-Dichloro-1,2-benzooxathiin 2,2-dioxide Investigative 71522163 C8H4Cl2O3S 251.09 C1=CS(=O)(=O)OC2=C1C=C(C=C2Cl)Cl Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BKN7W6 2-(Aminosulfonyl)-5-chloro-4-methylphenyl N-(phenylsulfonyl)benzenecarbohydrazonothioate Investigative 44416215 C20H18ClN3O4S3 496 CC1=CC(=C(C=C1Cl)S/C(=N\\NS(=O)(=O)C2=CC=CC=C2)/C3=CC=CC=C3)S(=O)(=O)N Ki = 113000 nM Poor binder T13201 Carbonic anhydrase I BKYZ35 3-((Benzylamino)methyl)benzoic acid Investigative 45266999 C15H15NO2 241.28 C1=CC=C(C=C1)CNCC2=CC(=CC=C2)C(=O)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BL7VP4 4-(2,4-Diphenyl-6-propan-2-ylpyridin-1-ium-1-yl)benzenesulfonamide;perchlorate Investigative 10673746 C26H25ClN2O6S 529 CC(C)C1=CC(=CC(=[N+]1C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O Ki = 125000 nM Poor binder T13201 Carbonic anhydrase I BL8M5W 3-Fluoro-4-trifluoromethanesulfonylamino-benzenesulfonamide Investigative 10615795 C7H6F4N2O4S2 322.3 C1=CC(=C(C=C1S(=O)(=O)N)F)NS(=O)(=O)C(F)(F)F Ki = 100000 nM Poor binder T13201 Carbonic anhydrase I BL9GR5 4-Trifluoromethanesulfonamidobenzenesulfonamide Investigative 4110011 C7H7F3N2O4S2 304.3 C1=CC(=CC=C1NS(=O)(=O)C(F)(F)F)S(=O)(=O)N Ki = 165500 nM Poor binder T13201 Carbonic anhydrase I BLB2R3 6-Aminosaccharin Investigative 64789 C7H6N2O3S 198.2 C1=CC2=C(C=C1N)S(=O)(=O)NC2=O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BLT50I 2-[[2-[(2-Hydroxyphenyl)methylamino]anilino]methyl]phenol Investigative 6102658 C20H20N2O2 320.4 C1=CC=C(C(=C1)CNC2=CC=CC=C2NCC3=CC=CC=C3O)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BM20LA 1,3-Dimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[4,3-e][1,2,4]triazin-5-amine Investigative 90654802 C17H22N8O2S 402.5 CC1=NN(C2=C1N=C(N=N2)NC3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C)C Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BM7QK4 Sodium 4-Methylvalerate Investigative 23672490 C6H11NaO2 138.14 CC(C)CCC(=O)[O-].[Na+] Ki = 98000 nM Poor binder T13201 Carbonic anhydrase I BMB3K9 2-[[3-(4-Nitrophenyl)-1,2-oxazol-5-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one Investigative 76321814 C17H11N3O6S 385.4 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=CC(=NO3)C4=CC=C(C=C4)[N+](=O)[O-] Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BMHC09 2-[4-Cyano-3-(4-methylphenyl)pyrazol-1-yl]-1,3-benzothiazole-6-sulfonamide Investigative 118721398 C18H13N5O2S2 395.5 CC1=CC=C(C=C1)C2=NN(C=C2C#N)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BMV71F 2-[(2-Bromophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one Investigative 7382238 C14H10BrNO3S 352.2 C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3S2(=O)=O)Br Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BMZ42K Methyl 6-(hydroxymethyl)-2-oxo-2H-chromene-3-carboxylate Investigative 45485283 C12H10O5 234.2 COC(=O)C1=CC2=C(C=CC(=C2)CO)OC1=O Ki = 145000 nM Poor binder T13201 Carbonic anhydrase I BN35LF 4-Methyl-N-[5-methyl-2-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]diselanyl]phenyl]benzenesulfonamide Investigative 137639833 C28H28N2O4S2Se2 678.6 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C)[Se][Se]C3=C(C=C(C=C3)C)NS(=O)(=O)C4=CC=C(C=C4)C Ki = 81300 nM Poor binder T13201 Carbonic anhydrase I BNK20S (3,4-Diacetyloxy-2,5,6-tribromophenyl)methyl acetate Investigative 57397836 C13H11Br3O6 502.93 CC(=O)OCC1=C(C(=C(C(=C1Br)Br)OC(=O)C)OC(=O)C)Br Ki = 187130 nM Poor binder T13201 Carbonic anhydrase I BNKI43 2,3,6-Tribromo-4,5-dimethoxybenzyl alcohol Investigative 57397664 C9H9Br3O3 404.88 COC1=C(C(=C(C(=C1Br)CO)Br)Br)OC Ki = 193240 nM Poor binder T13201 Carbonic anhydrase I BNQ74S Triethylenetetramine Investigative 5565 C6H18N4 146.23 C(CNCCNCCN)N Ki = 100000 nM Poor binder T13201 Carbonic anhydrase I BNTW42 1,1-Dioxo-6-[4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]-1,2-benzothiazol-3-one Investigative 90654830 C16H18N4O9S 442.4 C1=CC2=C(C=C1N3C=C(N=N3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)S(=O)(=O)NC2=O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BO2G7W (1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid Investigative 818753 C9H7NO5S 241.22 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BOU16K N-(3-Dimethylaminopropyl)-p-toluenesulfonamide Investigative 202375 C12H20N2O2S 256.37 CC1=CC=C(C=C1)S(=O)(=O)NCCCN(C)C IC50 ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BP06JW 4-(Trifluoromethanesulfonylamino-methyl)-benzenesulfonamide Investigative 4184455 C8H9F3N2O4S2 318.3 C1=CC(=CC=C1CNS(=O)(=O)C(F)(F)F)S(=O)(=O)N Ki = 137800 nM Poor binder T13201 Carbonic anhydrase I BP0KC6 Dihydrogeiparvarim Investigative 289493 C19H20O5 328.4 CC(CCOC1=CC2=C(C=C1)C=CC(=O)O2)C3=CC(=O)C(O3)(C)C Ki = 59200 nM Poor binder T13201 Carbonic anhydrase I BP0Y7C N,N'-Bis(salicylidene)-1,2-phenylenediamine Investigative 221227 C20H16N2O2 316.4 C1=CC=C(C(=C1)C=NC2=CC=CC=C2N=CC3=CC=CC=C3O)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BP6IF8 Naphtho[1,2-E][1,2]Oxathiine 3,3-Dioxide Investigative 71719377 C12H8O3S 232.26 C1=CC=C2C(=C1)C=CC3=C2C=CS(=O)(=O)O3 Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BP75XH 4-Amino-2-chlorophenol Investigative 77578 C6H6ClNO 143.57 C1=CC(=C(C=C1N)Cl)O Ki = 57800 nM Poor binder T13201 Carbonic anhydrase I BP8KU1 Bis[2-hydroxy-3-(benzyloxy)propyl] perselenide Investigative 102480165 C20H26O4Se2 488.4 C1=CC=C(C=C1)COCC(C[Se][Se]CC(COCC2=CC=CC=C2)O)O Ki = 52100 nM Poor binder T13201 Carbonic anhydrase I BPO16U 3-(2,4-Dimethylphenyl)-1H-pyrazole-5-carboxylic acid Investigative 4274816 C12H12N2O2 216.24 CC1=CC(=C(C=C1)C2=NNC(=C2)C(=O)O)C Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BQ1I0C 2,4,6-Trifluorophenol Investigative 519974 C6H3F3O 148.08 C1=C(C=C(C(=C1F)O)F)F Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BQ53OH 4-[(2,4-Diphenyl-6-propan-2-ylpyridin-1-ium-1-yl)methyl]benzenesulfonamide;perchlorate Investigative 10768870 C27H27ClN2O6S 543 CC(C)C1=CC(=CC(=[N+]1CC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O Ki = 112000 nM Poor binder T13201 Carbonic anhydrase I BQNM97 (1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3h)-yl)acetonitrile Investigative 239728 C9H6N2O3S 222.22 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC#N Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BR2QE6 (2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-2-(hydroxymethyl)-6-(sulfamoylamino)oxane Investigative 56659826 C6H14N2O7S 258.25 C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)NS(=O)(=O)N)O)O)O)O Ki = 91900 nM Poor binder T13201 Carbonic anhydrase I BR62SV Sodium 2-Methylheptanoate Investigative 23692005 C8H15NaO2 166.19 CCCCCC(C)C(=O)[O-].[Na+] Ki = 92000 nM Poor binder T13201 Carbonic anhydrase I BR6W5P 2-(2-Propynyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide Investigative 390929 C10H7NO3S 221.23 C#CCN1C(=O)C2=CC=CC=C2S1(=O)=O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BR82NQ 4-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3h)-yl)butanenitrile Investigative 239730 C11H10N2O3S 250.28 C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCC#N Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BS58HU N1,N3-Bis(2-(2,2,2-trifluoroacetamido)ethyl)-propane-1,3-diaminium trifluoroacetate Investigative 46899573 C11H18F6N4O2 352.28 C(CNCCNC(=O)C(F)(F)F)CNCCNC(=O)C(F)(F)F Ki = 122000 nM Poor binder T13201 Carbonic anhydrase I BS6H4D N,N'-Disalicylidene-1,5-pentanediamine Investigative 2318645 C19H22N2O2 310.4 C1=CC=C(C(=C1)C=NCCCCCN=CC2=CC=CC=C2O)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BS79XP 4-(2-Trifluoromethanesulfonylamino-ethyl)-benzenesulfonamide Investigative 4616277 C9H11F3N2O4S2 332.3 C1=CC(=CC=C1CCNS(=O)(=O)C(F)(F)F)S(=O)(=O)N Ki = 81300 nM Poor binder T13201 Carbonic anhydrase I BSVL83 4-Methylumbelliferyl alpha-L-rhamnopyranoside Investigative 26470767 C16H18O7 322.31 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC3=C(C=C2)C(=CC(=O)O3)C)O)O)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BT67QB Saccharin N-(2-acetic acid ethyl ester) Investigative 607195 C11H11NO5S 269.28 CCOC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BTA2U0 1-Oxo-1-(sulfamoylamino)-2-O,3-O:4-O,5-O-diisopropylidene-1-deoxy-beta-D-fructopyranose Investigative 44380403 C12H20N2O8S 352.36 CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)C(=O)NS(=O)(=O)N)C Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BTF53G Chembl4283699 Investigative 145992776 C14H12N4O8S 396.33 C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=C(C(=CC(=C3)S(=O)(=O)N)[N+](=O)[O-])O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BTFJ40 9-(4-Methylphenyl)sulfonyl-2,3,3a,9a-tetrahydrofuro[3,2-b][1,4]benzoselenazine Investigative 137661006 C17H17NO3SSe 394.4 CC1=CC=C(C=C1)S(=O)(=O)N2C3C(CCO3)[Se]C4=CC=CC=C42 Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BTH76O 5-(4-Fluorophenyl)-1H-pyrazole-3-carboxylic acid Investigative 940540 C10H7FN2O2 206.17 C1=CC(=CC=C1C2=NNC(=C2)C(=O)O)F Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BTKP31 1-[(E)-(3-Bromophenyl)methylideneamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Investigative 44435850 C10H8BrN5OS2 358.2 C1=CC(=CC(=C1)Br)/C=N/NC(=O)NC2=NNC(=S)S2 Ki = 71620 nM Poor binder T13201 Carbonic anhydrase I BTQ12P 1,2,4-Benzenetriol Investigative 10787 C6H6O3 126.11 C1=CC(=C(C=C1O)O)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BTWK41 N-2-Biphenylyl-4-methylbenzenesulfonamide Investigative 818647 C19H17NO2S 323.4 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=CC=CC=C3 IC50 ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BU0HO5 Sulfamic acid hexadecyl ester Investigative 11186322 C16H35NO3S 321.5 CCCCCCCCCCCCCCCCOS(=O)(=O)N Ki = 58000 nM Poor binder T13201 Carbonic anhydrase I BU4F2R 4-[2-(2,4-Diphenyl-6-propylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide;perchlorate Investigative 10507009 C28H29ClN2O6S 557.1 CCCC1=[N+](C(=CC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)CCC4=CC=C(C=C4)S(=O)(=O)N.[O-]Cl(=O)(=O)=O Ki = 112000 nM Poor binder T13201 Carbonic anhydrase I BU4IE1 Sodium 2-Buyloctanoate Investigative 23690537 C12H23NaO2 222.3 CCCCCCC(CCCC)C(=O)[O-].[Na+] Ki = 101000 nM Poor binder T13201 Carbonic anhydrase I BU6F1K 1,3-Dimethyl-N-(4-piperazin-1-ylsulfonylphenyl)pyrazolo[4,3-e][1,2,4]triazin-5-amine Investigative 86288855 C16H20N8O2S 388.5 CC1=NN(C2=C1N=C(N=N2)NC3=CC=C(C=C3)S(=O)(=O)N4CCNCC4)C Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BU89JC 6-Nitro-1,2-benzooxathiin 2,2-dioxide Investigative 71522162 C8H5NO5S 227.2 C1=CC2=C(C=CS(=O)(=O)O2)C=C1[N+](=O)[O-] Ki = 92000 nM Poor binder T13201 Carbonic anhydrase I BUC18J 4-Acetyl-N-phenylbenzenesulfonamide Investigative 7022526 C14H13NO3S 275.32 CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2 IC50 ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BUG0I4 4-(2,4-Diphenyl-6-propylpyridin-1-ium-1-yl)benzenesulfonamide;perchlorate Investigative 10768529 C26H25ClN2O6S 529 CCCC1=[N+](C(=CC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)N.[O-]Cl(=O)(=O)=O Ki = 140000 nM Poor binder T13201 Carbonic anhydrase I BUWC84 1-[(E)-1-(4-Chlorophenyl)ethylideneamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Investigative 44435862 C11H10ClN5OS2 327.8 C/C(=N\\NC(=O)NC1=NNC(=S)S1)/C2=CC=C(C=C2)Cl Ki = 144070 nM Poor binder T13201 Carbonic anhydrase I BV6S0C 4-Hydroxycoumarin Investigative 54682930 C9H6O3 162.14 C1=CC=C2C(=C1)C(=CC(=O)O2)O Ki = 95000 nM Poor binder T13201 Carbonic anhydrase I BVT64J (2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-2-(hydroxymethyl)-6-(sulfamoylamino)oxane Investigative 56673656 C6H14N2O7S 258.25 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NS(=O)(=O)N)O)O)O)O Ki = 75400 nM Poor binder T13201 Carbonic anhydrase I BW3D4X N-Hydroxy-2,4,6-trimethylbenzenesulfonamide Investigative 11009332 C9H13NO3S 215.27 CC1=CC(=C(C(=C1)C)S(=O)(=O)NO)C Ki = 72000 nM Poor binder T13201 Carbonic anhydrase I BW7D6Q N-p-Tosylglycine Investigative 70653 C9H11NO4S 229.26 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O IC50 ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BW7RY5 (1R,2S,6S,8R,9S)-4,4,11,11-Tetramethyl-N-sulfamoyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide Investigative 44380678 C12H20N2O8S 352.36 CC1(O[C@@H]2[C@H](O1)[C@@H](O[C@@H]3[C@H]2OC(O3)(C)C)C(=O)NS(=O)(=O)N)C Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BWS8H6 Perrhenate Investigative 139584 O4Re- 250.2 [O-][Re](=O)(=O)=O Ki = 110000 nM Poor binder T13201 Carbonic anhydrase I BX26GN 6-Acetyl-7-butoxy-2H-chromen-2-one Investigative 52948047 C15H16O4 260.279 CCCCOC1=C(C=C2C=CC(=O)OC2=C1)C(=O)C Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BX50CN 8-Acetyl-7-(2-adamantan-1-yl-ethoxy)-chromen-2-one Investigative 52942476 C23H26O4 366.4 CC(=O)C1=C(C=CC2=C1OC(=O)C=C2)OCCC34CC5CC(C3)CC(C5)C4 Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BX8BD7 2-[4-[(E)-Hydroxyiminomethyl]-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-benzothiazole-6-sulfonamide Investigative 118721405 C18H15N5O4S2 429.5 COC1=CC=C(C=C1)C2=NN(C=C2/C=N/O)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BXK3N0 1-(Phenylseleno)-3-(benzyloxy)-2-propanol Investigative 11034581 C16H18O2Se 321.3 C1=CC=C(C=C1)COCC(C[Se]C2=CC=CC=C2)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BXP0Y8 4-[(E)-(5-Chloro-2-hydroxybenzylidene)amino]benzenesulfonamide Investigative 792066 C13H11ClN2O3S 310.76 C1=CC(=CC=C1N=CC2=C(C=CC(=C2)Cl)O)S(=O)(=O)N Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BXQ4P6 N-Benzyl-p-toluenesulfonamide Investigative 95801 C14H15NO2S 261.339 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2 IC50 ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BY74AP 5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide Investigative 395814 C3H3F3N4O4S3 312.3 C1(=NN=C(S1)S(=O)(=O)N)NS(=O)(=O)C(F)(F)F Ki = 59800 nM Poor binder T13201 Carbonic anhydrase I BYG5E7 1-(Phenylseleno)-2-propanol Investigative 11183499 C9H12OSe 215.16 CC(C[Se]C1=CC=CC=C1)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BYL4J9 3-(4-Methoxyphenyl)-4-(2-nitrophenyl)sulfonyl-2,3-dihydro-1,4-benzoselenazine Investigative 137650698 C21H18N2O5SSe 489.4 COC1=CC=C(C=C1)C2C[Se]C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-] Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BYLN73 7-Pent-4-ynoxychromen-2-one Investigative 57387397 C14H12O3 228.24 C#CCCCOC1=CC2=C(C=C1)C=CC(=O)O2 Ki = 124000 nM Poor binder T13201 Carbonic anhydrase I BYVW12 6-Methyluracil Investigative 12283 C5H6N2O2 126.11 CC1=CC(=O)NC(=O)N1 Ki = 57760 nM Poor binder T13201 Carbonic anhydrase I BZ4MK5 Bis[(S)-2-(tosylamino)-3-phenylpropyl] perselenide Investigative 102151151 C32H36N2O4S2Se2 734.7 CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C[Se][Se]C[C@H](CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I BZ6HC2 2-(2-Nitrobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide Investigative 2952488 C14H10N2O5S 318.31 C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3S2(=O)=O)[N+](=O)[O-] Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BZ7QW2 2-Amino-7-chloro-3-(3,4-dimethoxyphenyl)chromen-4-one Investigative 70691832 C17H14ClNO4 331.7 COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)Cl)N)OC IC50 = 54100 nM Poor binder T13201 Carbonic anhydrase I BZ91JS 2-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide Investigative 1505151 C10H10N2O4S 254.26 CNC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I BZBI10 N,N-Diisobutylsulfamide Investigative 44381123 C8H20N2O2S 208.32 CC(C)CN(CC(C)C)S(=O)(=O)N Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I D00IUB 4-CYANOPHENOL Investigative 13019 C7H5NO 119.12 C1=CC(=CC=C1C#N)O Ki = 131000 nM Poor binder T13201 Carbonic anhydrase I D01BUB 2,5-difluorophenol Investigative 94952 C6H4F2O 130.09 C1=CC(=C(C=C1F)O)F Ki = 134000 nM Poor binder T13201 Carbonic anhydrase I D01CXM 6-Acetyl-7-ethoxy-2H-chromen-2-one Investigative 52949265 C13H12O4 232.23 CCOC1=C(C=C2C=CC(=O)OC2=C1)C(=O)C Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I D01FOK 7-ethoxy-8-propionyl-2H-chromen-2-one Investigative 52949288 C14H14O4 246.26 CCC(=O)C1=C(C=CC2=C1OC(=O)C=C2)OCC Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I D02JEZ 7-hydroxycoumarin Investigative 5281426 C9H6O3 162.14 C1=CC(=CC2=C1C=CC(=O)O2)O Ki = 58400 nM Poor binder T13201 Carbonic anhydrase I D02MAK 6-Acetyl-7-hydroxy-2H-chromen-2-one Investigative 5705744 C11H8O4 204.18 CC(=O)C1=C(C=C2C(=C1)C=CC(=O)O2)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I D03LHJ 8-acetyl-7-propoxy-2H-chromen-2-one Investigative 52946829 C14H14O4 246.26 CCCOC1=C(C2=C(C=C1)C=CC(=O)O2)C(=O)C Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I D03NBX P-hydroxyphenethyl trans-ferulate Investigative 637308 C18H18O5 314.3 COC1=C(C=CC(=C1)/C=C/C(=O)OCCC2=CC=C(C=C2)O)O Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I D04LNI Di(2,6-dimethylphenol) Investigative 75490 C16H18O2 242.31 CC1=CC(=CC(=C1O)C)C2=CC(=C(C(=C2)C)O)C Ki = 92800 nM Poor binder T13201 Carbonic anhydrase I D05VUA 6-acetyl-7-methoxy-2H-chromen-2-one Investigative 850202 C12H10O4 218.2 CC(=O)C1=C(C=C2C(=C1)C=CC(=O)O2)OC Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I D06WZG 8-acetyl-7-ethoxy-2H-chromen-2-one Investigative 50925425 C13H12O4 232.23 CCOC1=C(C2=C(C=C1)C=CC(=O)O2)C(=O)C Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I D07MTM 4-AMINOPHENOL Investigative 403 C6H7NO 109.13 C1=CC(=CC=C1N)O Ki = 159000 nM Poor binder T13201 Carbonic anhydrase I D07QIU 4-(4-methoxy-benzylideneamino)-benzenesulfonamide Investigative 625902 C14H14N2O3S 290.34 COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)S(=O)(=O)N Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I D08JNO 8-acetyl-7-butoxy-2H-chromen-2-one Investigative 52943193 C15H16O4 260.279 CCCCOC1=C(C2=C(C=C1)C=CC(=O)O2)C(=O)C Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I D09ZUN 2,6-di-tert-butyl-4-methoxyphenol Investigative 10269 C15H24O2 236.35 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OC Ki = 63700 nM Poor binder T13201 Carbonic anhydrase I D0C9ZY 3-hydroxy-2-methoxybenzaldehyde Investigative 11804953 C8H8O3 152.15 COC1=C(C=CC=C1O)C=O Ki = 55600 nM Poor binder T13201 Carbonic anhydrase I D0EH0S 7-hydroxy-8-propionyl-2H-chromen-2-one Investigative 52943164 C12H10O4 218.2 CCC(=O)C1=C(C=CC2=C1OC(=O)C=C2)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I D0EY2F 7-hydroxy-6-propionyl-2H-chromen-2-one Investigative 52949920 C12H10O4 218.2 CCC(=O)C1=C(C=C2C(=C1)C=CC(=O)O2)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I D0F3UR 4-(4-methyl-benzylideneamino)-benzenesulfonamide Investigative 690836 C14H14N2O2S 274.34 CC1=CC=C(C=C1)C=NC2=CC=C(C=C2)S(=O)(=O)N Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I D0F7KC 8-acetyl-7-methoxy-2H-chromen-2-one Investigative 14116752 C12H10O4 218.2 CC(=O)C1=C(C=CC2=C1OC(=O)C=C2)OC Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I D0F9VF Propofol Investigative 4943 C12H18O 178.27 CC(C)C1=C(C(=CC=C1)C(C)C)O Ki = 98900 nM Poor binder T13201 Carbonic anhydrase I D0G0BJ VE-821 Investigative 51000408 C18H16N4O3S 368.4 CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I D0G6OW Sodium 2,3,5,6-tetrafluorobenzoate Investigative 23675285 C7HF4NaO2 216.06 C1=C(C(=C(C(=C1F)F)C(=O)[O-])F)F.[Na+] Ki = 74000 nM Poor binder T13201 Carbonic anhydrase I D0J7KJ 6-acetyl-7-propoxy-2H-chromen-2-one Investigative 52940758 C14H14O4 246.26 CCCOC1=C(C=C2C=CC(=O)OC2=C1)C(=O)C Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I D0K1FG 8-Acetyl-7-hydroxy-2H-chromen-2-one Investigative 5411574 C11H8O4 204.18 CC(=O)C1=C(C=CC2=C1OC(=O)C=C2)O Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I D0M5MI SC-560 Investigative 4306515 C17H12ClF3N2O 352.7 COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl IC50 ~ 100000 nM Poor binder T13201 Carbonic anhydrase I D0O6ZD 8-acetyl-7-(benzyloxy)-2H-chromen-2-one Investigative 14101447 C18H14O4 294.3 CC(=O)C1=C(C=CC2=C1OC(=O)C=C2)OCC3=CC=CC=C3 Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I D0R4WJ tannic acid Investigative 16129778 C76H52O46 1701.2 C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O Ki = 75900 nM Poor binder T13201 Carbonic anhydrase I D0S2II 4-(benzylideneamino)benzenesulfonamide Investigative 308405 C13H12N2O2S 260.31 C1=CC=C(C=C1)C=NC2=CC=C(C=C2)S(=O)(=O)N Ki ~ 50000 nM Poor binder T13201 Carbonic anhydrase I D0T9BB 7-methoxy-8-propionyl-2H-chromen-2-one Investigative 52950111 C13H12O4 232.23 CCC(=O)C1=C(C=CC2=C1OC(=O)C=C2)OC Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I D0V0FY 8-Propionyl-7-propoxy-2H-chromen-2-one Investigative 52946831 C15H16O4 260.279 CCCOC1=C(C2=C(C=C1)C=CC(=O)O2)C(=O)CC Ki ~ 100000 nM Poor binder T13201 Carbonic anhydrase I D0ZC3W P-TOLUENESULFONAMIDE Investigative 6269 C7H9NO2S 171.22 CC1=CC=C(C=C1)S(=O)(=O)N Ki = 78500 nM Poor binder