TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T83011 Monoamine oxidase type B D0T3LF Dextroamphetamine Approved 5826 C9H13N 135.21 C[C@@H](CC1=CC=CC=C1)N Ki = 280000 nM Non binder T83011 Monoamine oxidase type B B0I3VJ 4-Benzyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline Investigative 46945877 C22H16N4 336.4 C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N4C2=NN=C4C5=CC=CC=C5 IC50 = 980000 nM Non binder T83011 Monoamine oxidase type B B1F9WK 6-Hydroxy-3,4-dihydro-2(1H)-quinolinone Investigative 2774040 C9H9NO2 163.17 C1CC(=O)NC2=C1C=C(C=C2)O IC50 = 201000 nM Non binder T83011 Monoamine oxidase type B B1NF4G 3-(4-Hydroxyphenyl)-N-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Investigative 56673343 C23H21N3O2S 403.5 COC1=CC=CC(=C1)NC(=S)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)O Ki = 355000 nM Non binder T83011 Monoamine oxidase type B B24QOJ 1-(3-Phenylpropyl)-3,6-dihydro-2H-pyridine Investigative 54327402 C14H19N 201.31 C1CN(CC=C1)CCCC2=CC=CC=C2 IC50 = 812500 nM Non binder T83011 Monoamine oxidase type B B28YGP Phenyl 5-(2-hydroxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxylate Investigative 136239406 C23H20N2O4 388.4 COC1=CC=C(C=C1)C2CC(=NN2C(=O)OC3=CC=CC=C3)C4=CC=CC=C4O Ki = 305000 nM Non binder T83011 Monoamine oxidase type B B2JIX9 N-(3-Aminopropyl)-N'-[3-(benzylamino)propyl]butane-1,4-diamine Investigative 44372226 C17H32N4 292.5 C1=CC=C(C=C1)CNCCCNCCCCNCCCN Ki = 291000 nM Non binder T83011 Monoamine oxidase type B B3CH9M Norweberine Investigative 45264251 C13H20ClNO4 289.75 COC1=C(C(=C(C2=C1CCNC2)OC)OC)OC.Cl Ki = 580000 nM Non binder T83011 Monoamine oxidase type B B3GKB4 1-(1-Methyl-1H-pyrrole-2-yl)-2-pyrrolizino-2-phenylethanone Investigative 44398339 C17H20N2O 268.35 CN1C=CC=C1C(=O)C(C2=CC=CC=C2)N3CCCC3 Ki = 600000 nM Non binder T83011 Monoamine oxidase type B B3OZ5P Chembl4177405 Investigative 145973192 C20H19FN4S 366.5 C1CCN(C1)C2=CC=C(C=C2)/C=N/NC3=NC(=CS3)C4=CC=C(C=C4)F IC50 = 425858 nM Non binder T83011 Monoamine oxidase type B B3VG0Y (E)-3-(3-Hydroxy-4-methoxybenzylidene)chroman-4-one Investigative 2697325 C17H14O4 282.29 COC1=C(C=C(C=C1)/C=C/2\\COC3=CC=CC=C3C2=O)O IC50 = 478630.09 nM Non binder T83011 Monoamine oxidase type B B4I1JY 1-Phenyl-3-[(E)-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methylideneamino]thiourea Investigative 90645503 C17H21N3S 299.4 CC1=C(C(CC=C1)(C)C)/C=N/NC(=S)NC2=CC=CC=C2 IC50 = 224000 nM Non binder T83011 Monoamine oxidase type B B5M9WN 3-(2-Hydroxyphenyl)-N-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Investigative 56676876 C23H21N3O2S 403.5 COC1=CC=CC(=C1)NC(=S)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4O Ki = 979000 nM Non binder T83011 Monoamine oxidase type B B5WSL2 (2S)-1-(1-Methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone Investigative 11425653 C17H20N2O 268.35 CN1C=CC=C1C(=O)[C@H](C2=CC=CC=C2)N3CCCC3 Ki = 500000 nM Non binder T83011 Monoamine oxidase type B B6C1MG (E)-3-(4-Hydroxy-3-nitrobenzylidene)chroman-4-one Investigative 17545843 C16H11NO5 297.26 C1/C(=C\\C2=CC(=C(C=C2)O)[N+](=O)[O-])/C(=O)C3=CC=CC=C3O1 IC50 = 489778.82 nM Non binder T83011 Monoamine oxidase type B B6LSV9 (2E)-3-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)prop-2-en-1-one Investigative 5346482 C22H17FO2 332.4 C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)F IC50 = 501187.23 nM Non binder T83011 Monoamine oxidase type B B6RHB5 N-[(2S)-4-[3-(2-Aminocyclopropyl)phenoxy]-1-(benzylamino)-1-oxobutan-2-yl]benzamide Investigative 44607264 C27H29N3O3 443.5 C1C(C1N)C2=CC(=CC=C2)OCC[C@@H](C(=O)NCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4 IC50 = 500000 nM Non binder T83011 Monoamine oxidase type B B6Y9TZ 3-(4-Hydroxyphenyl)-N-(3-methylphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Investigative 56676877 C23H21N3OS 387.5 CC1=CC(=CC=C1)NC(=S)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)O Ki = 255600 nM Non binder T83011 Monoamine oxidase type B B78YCL Chembl4168446 Investigative 145953219 C20H19ClN4OS 398.9 C1COCCN1C2=CC=C(C=C2)/C=N/NC3=NC(=CS3)C4=CC=C(C=C4)Cl IC50 = 557921 nM Non binder T83011 Monoamine oxidase type B B7CE4R (2S)-1-(1-Methylpyrrol-2-yl)-2-phenyl-2-piperidin-1-ylethanone Investigative 11414870 C18H22N2O 282.4 CN1C=CC=C1C(=O)[C@H](C2=CC=CC=C2)N3CCCCC3 Ki = 410000 nM Non binder T83011 Monoamine oxidase type B B7P0OR Substituted chalcone, 5p Investigative 8446625 C16H13ClO3S 320.8 CS(=O)(=O)C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)Cl IC50 = 467735.14 nM Non binder T83011 Monoamine oxidase type B B7TN8F [5-[[1-Methyl-2-[[methyl(prop-2-ynyl)amino]methyl]indol-5-yl]oxymethyl]quinolin-8-yl] N,N-dimethylcarbamate Investigative 118730200 C27H28N4O3 456.5 CN1C2=C(C=C(C=C2)OCC3=C4C=CC=NC4=C(C=C3)OC(=O)N(C)C)C=C1CN(C)CC#C IC50 = 273100 nM Non binder T83011 Monoamine oxidase type B B7YD1J (2R)-1-(1-Methylpyrrol-2-yl)-2-phenyl-2-piperidin-1-ylethanone Investigative 11335051 C18H22N2O 282.4 CN1C=CC=C1C(=O)[C@@H](C2=CC=CC=C2)N3CCCCC3 Ki = 520000 nM Non binder T83011 Monoamine oxidase type B B84ROU Chembl4240336 Investigative 145983490 C17H11BrN2O4S 419.3 C1=CC(=CC=C1N2C(=O)C(=CC3=CC(=C(C=C3)O)O)C(=O)NC2=S)Br IC50 > 200000 nM Non binder T83011 Monoamine oxidase type B B85HFY 1-[2-(4-Nitrophenyl)ethyl]-3,6-dihydro-2H-pyridine Investigative 22569785 C13H16N2O2 232.28 C1CN(CC=C1)CCC2=CC=C(C=C2)[N+](=O)[O-] IC50 = 271900 nM Non binder T83011 Monoamine oxidase type B B8GXI7 Phenyl([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone Investigative 46946084 C16H10N4O 274.28 C1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3N4C2=NN=C4 IC50 = 940000 nM Non binder T83011 Monoamine oxidase type B B8PF0J Phenyl 5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxylate Investigative 136219376 C22H18N2O3 358.4 C1C(N(N=C1C2=CC=CC=C2O)C(=O)OC3=CC=CC=C3)C4=CC=CC=C4 Ki = 530000 nM Non binder T83011 Monoamine oxidase type B B93XCD [1-(2-Chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-phenylmethanone Investigative 46946080 C22H13ClN4O 384.8 C1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3N4C2=NN=C4C5=CC=CC=C5Cl IC50 = 380000 nM Non binder T83011 Monoamine oxidase type B B96YLG [1-(4-Nitrophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-phenylmethanone Investigative 46946083 C22H13N5O3 395.4 C1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3N4C2=NN=C4C5=CC=C(C=C5)[N+](=O)[O-] IC50 = 230000 nM Non binder T83011 Monoamine oxidase type B B9PC6H Phenyl-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone Investigative 46946079 C22H14N4O 350.4 C1=CC=C(C=C1)C2=NN=C3N2C4=CC=CC=C4N=C3C(=O)C5=CC=CC=C5 IC50 = 240000 nM Non binder T83011 Monoamine oxidase type B B9TZ0S N-(3-Aminopropyl)-N'-[3-(thiophen-2-ylmethylamino)propyl]butane-1,4-diamine Investigative 76324406 C15H30N4S 298.5 C1=CSC(=C1)CNCCCNCCCCNCCCN Ki = 414000 nM Non binder T83011 Monoamine oxidase type B BA4WQ8 Piperidine, 1-methyl-3-(phenylmethylene)-, (E)- Investigative 6443329 C13H17N 187.28 CN1CCC/C(=C\\C2=CC=CC=C2)/C1 Ki = 690000 nM Non binder T83011 Monoamine oxidase type B BA6JQ9 (2R)-1-(1-Methylpyrrol-2-yl)-2-phenyl-2-thiomorpholin-4-ylethanone Investigative 11335598 C17H20N2OS 300.4 CN1C=CC=C1C(=O)[C@@H](C2=CC=CC=C2)N3CCSCC3 Ki = 400000 nM Non binder T83011 Monoamine oxidase type B BA80BS Chembl4163498 Investigative 145957769 C20H19ClN4S 382.9 C1CCN(C1)C2=CC=C(C=C2)/C=N/NC3=NC(=CS3)C4=CC=C(C=C4)Cl IC50 = 760721 nM Non binder T83011 Monoamine oxidase type B BAMV54 Tert-butyl 4-[[1-[(2-fluorophenyl)methyl]triazol-4-yl]methylsulfanylcarbothioyl]piperazine-1-carboxylate Investigative 71616357 C20H26FN5O2S2 451.6 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCC2=CN(N=N2)CC3=CC=CC=C3F IC50 = 790700 nM Non binder T83011 Monoamine oxidase type B BANK97 (1-Phenyl-1H-1,2,3-triazol-4-yl)methanamine Investigative 18526002 C9H10N4 174.2 C1=CC=C(C=C1)N2C=C(N=N2)CN IC50 = 510840 nM Non binder T83011 Monoamine oxidase type B BBOF76 (E)-3-Benzylidene-6-chlorochroman-4-one Investigative 52937825 C16H11ClO2 270.71 C1/C(=C\\C2=CC=CC=C2)/C(=O)C3=C(O1)C=CC(=C3)Cl IC50 = 331131.12 nM Non binder T83011 Monoamine oxidase type B BBU54Z N-[(E)-1-(5-Chloro-2-hydroxyphenyl)ethylideneamino]-5-methylsulfonylpyridine-3-carboxamide Investigative 136491217 C15H14ClN3O4S 367.8 C/C(=N\\NC(=O)C1=CC(=CN=C1)S(=O)(=O)C)/C2=C(C=CC(=C2)Cl)O IC50 > 300000 nM Non binder T83011 Monoamine oxidase type B BBU6K1 N-[(E)-1-(5-Chloro-2-hydroxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide Investigative 135576187 C17H18ClN3O4S 395.9 C/C(=N\\NC(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)C)/C2=C(C=CC(=C2)Cl)O IC50 > 300000 nM Non binder T83011 Monoamine oxidase type B BD68FA (E)-3-Benzylidene-4-chromanone Investigative 6364799 C16H12O2 236.26 C1/C(=C\\C2=CC=CC=C2)/C(=O)C3=CC=CC=C3O1 IC50 = 478630.09 nM Non binder T83011 Monoamine oxidase type B BD9Z5I 5,7-Dichloro-3-[(4-chlorophenyl)methyl]chromen-4-one Investigative 513102 C16H9Cl3O2 339.6 C1=CC(=CC=C1CC2=COC3=C(C2=O)C(=CC(=C3)Cl)Cl)Cl IC50 = 436515.83 nM Non binder T83011 Monoamine oxidase type B BE2OZ6 cis-2-Fluoro-2-(3,4-dimethoxyphenyl)cyclopropylamine Investigative 44577749 C11H14FNO2 211.23 COC1=C(C=C(C=C1)[C@]2(C[C@H]2N)F)OC IC50 = 470000 nM Non binder T83011 Monoamine oxidase type B BE72GX 1-Phenethylpiperidine Investigative 9513 C13H19N 189.3 C1CCN(CC1)CCC2=CC=CC=C2 IC50 = 761500 nM Non binder T83011 Monoamine oxidase type B BE86AM (E)-N'-(1-(5-Chloro-2-hydroxyphenyl)ethylidene)-3-(morpholinosulfonyl)benzohydrazide Investigative 135743577 C19H20ClN3O5S 437.9 C/C(=N\\NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)/C3=C(C=CC(=C3)Cl)O IC50 > 300000 nM Non binder T83011 Monoamine oxidase type B BE8H2X 8-Methoxy-4-methyl-7-(2''-oxocyclopentyloxy)coumarin Investigative 44562978 C15H14O5 274.27 COC1=C(C=CC2=C1OC(=O)C=C2)OC3CCCC3=O IC50 = 856000 nM Non binder T83011 Monoamine oxidase type B BK3R2Q (E)-3-(3-Amino-4-hydroxybenzylidene)chroman-4-one Investigative 52936300 C16H13NO3 267.28 C1/C(=C\\C2=CC(=C(C=C2)O)N)/C(=O)C3=CC=CC=C3O1 IC50 = 478630.09 nM Non binder T83011 Monoamine oxidase type B BKB5C8 1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-piperidinoethanone Investigative 44398252 C18H22N2O 282.4 CN1C=CC=C1C(=O)C(C2=CC=CC=C2)N3CCCCC3 Ki = 500000 nM Non binder T83011 Monoamine oxidase type B BL3M9A 5-Methoxy-4''-methylfuro[3,2-g]coumarin Investigative 25139470 C13H10O4 230.22 CC1=COC2=C1C(=C3C=CC(=O)OC3=C2)OC IC50 = 260000 nM Non binder T83011 Monoamine oxidase type B BLZK93 Ethanone, 2-(dimethylamino)-1-(1-methyl-1H-pyrrol-2-yl)-2-phenyl- Investigative 44398338 C15H18N2O 242.32 CN1C=CC=C1C(=O)C(C2=CC=CC=C2)N(C)C Ki = 875000 nM Non binder T83011 Monoamine oxidase type B BMV47U (2Z)-3-Benzyl-2-[(E)-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one Investigative 90645505 C20H23N3OS 353.5 CC1=C(C(CC=C1)(C)C)/C=N/N=C\\2/N(C(=O)CS2)CC3=CC=CC=C3 IC50 = 215000 nM Non binder T83011 Monoamine oxidase type B BN15QO N-Allyl-5-(thiophen-2-yl)-3-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbothioamide Investigative 11013275 C18H19N3S2 341.5 CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=S)NCC=C IC50 = 240000 nM Non binder T83011 Monoamine oxidase type B BN2P0C Chembl4237226 Investigative 121482363 C21H25NO5 371.4 C[C@H](CC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OC)N(C)CC(=O)O IC50 = 360579 nM Non binder T83011 Monoamine oxidase type B BO0K4D trans-2-Fluoro-2-(3,4-dimethoxyphenyl)cyclopropylamine Investigative 44577748 C11H14FNO2 211.23 COC1=C(C=C(C=C1)[C@]2(C[C@@H]2N)F)OC IC50 = 230000 nM Non binder T83011 Monoamine oxidase type B BOPB06 Methyl-[4-methyl-1,4-dihydro-2H-cyclopenta[b]indol-(3Z)-ylidene]-amine Investigative 44371843 C13H14N2 198.26 CN=C1CCC2=C1N(C3=CC=CC=C23)C IC50 = 317000 nM Non binder T83011 Monoamine oxidase type B BP95KW 3-(4-Hydroxyphenyl)-N-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Investigative 56670040 C23H21N3OS 387.5 CC1=CC=C(C=C1)NC(=S)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)O Ki = 300010 nM Non binder T83011 Monoamine oxidase type B BPFB19 (E)-3-(4-Aminobenzylidene)chroman-4-one Investigative 52937826 C16H13NO2 251.28 C1/C(=C\\C2=CC=C(C=C2)N)/C(=O)C3=CC=CC=C3O1 IC50 = 870963.59 nM Non binder T83011 Monoamine oxidase type B BPGQ29 (2R)-1-(1-Methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone Investigative 11219387 C17H20N2O 268.35 CN1C=CC=C1C(=O)[C@@H](C2=CC=CC=C2)N3CCCC3 Ki = 700000 nM Non binder T83011 Monoamine oxidase type B BR16AK Methyl-carbamic acid 6-chloro-4-methyl-3-[(Z)-methylimino]-1,2,3,4-tetrahydro-cyclopenta[b]indol-7-yl ester Investigative 44371918 C15H16ClN3O2 305.76 CNC(=O)OC1=C(C=C2C(=C1)C3=C(N2C)C(=NC)CC3)Cl IC50 = 395000 nM Non binder T83011 Monoamine oxidase type B BSJ68E Naringenin Investigative 439246 C15H12O5 272.25 C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O IC50 = 288000 nM Non binder T83011 Monoamine oxidase type B BSM27G Ethyl 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxylate Investigative 137175235 C19H20N2O4 340.4 CCOC(=O)N1C(CC(=N1)C2=CC(=C(C=C2)O)OC)C3=CC=CC=C3 Ki = 201250 nM Non binder T83011 Monoamine oxidase type B BTPL81 5-(4-Hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboximidamide Investigative 137175238 C17H18N4O2 310.35 COC1=C(C=CC(=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=N)N)O Ki = 201350 nM Non binder T83011 Monoamine oxidase type B BTW9N6 (E)-3-(2,4-Dimethoxybenzylidene)chroman-4-one Investigative 2455077 C18H16O4 296.3 COC1=CC(=C(C=C1)/C=C/2\\COC3=CC=CC=C3C2=O)OC IC50 = 245470.89 nM Non binder T83011 Monoamine oxidase type B BUF80V 3-(4-Hydroxyphenyl)-N-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Investigative 56683530 C23H21N3OS 387.5 CC1=CC=CC=C1NC(=S)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)O Ki = 309220 nM Non binder T83011 Monoamine oxidase type B BV5I9Y (2E)-3-[4-(Benzyloxy)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one Investigative 5903767 C23H20O3 344.4 COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OCC3=CC=CC=C3 IC50 = 446683.59 nM Non binder T83011 Monoamine oxidase type B BX02NQ 3-(4-Hydroxyphenyl)-N-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Investigative 56663182 C23H21N3O2S 403.5 COC1=CC=C(C=C1)NC(=S)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)O Ki = 400900 nM Non binder T83011 Monoamine oxidase type B BX4QS9 Piperidine, 1-methyl-3-(phenylmethylene)-, (Z)- Investigative 6443328 C13H17N 187.28 CN1CCC/C(=C/C2=CC=CC=C2)/C1 Ki = 380000 nM Non binder T83011 Monoamine oxidase type B BY0E7Q 3-[(5E)-5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid Investigative 1416314 C13H11NO3S2 293.4 C1=CC=C(C=C1)/C=C/2\\C(=O)N(C(=S)S2)CCC(=O)O IC50 = 604300 nM Non binder T83011 Monoamine oxidase type B BY8QX6 3-Phenylcyclohex-2-en-1-amine Investigative 189206 C12H15N 173.25 C1CC(C=C(C1)C2=CC=CC=C2)N Ki = 510000 nM Non binder T83011 Monoamine oxidase type B BYXN56 trans-N-(2-Pyridylmethylene)aniline Investigative 499408 C12H10N2 182.22 C1=CC=C(C=C1)N=CC2=CC=CC=N2 Ki = 695000 nM Non binder T83011 Monoamine oxidase type B BZB7P1 3-(2-Hydroxyphenyl)-N-(3-methylphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Investigative 56673554 C23H21N3OS 387.5 CC1=CC(=CC=C1)NC(=S)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4O Ki = 250000 nM Non binder