Compound Name (alphabetical) | Enz. Inhib. Data | ITC Data | Binding Targets | Alternate Compound Names |
---|
Ki | IC50 | Kd | EC50 | Koff | Kon | Other |
---|
BDBM1000
 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | | - 4-hydroxy-3-[(2-phenoxyethyl)sulfanyl]-2H-chromen-2-one
- Hydroxycoumarin deriv. 38
- I-Hydroxy-3-[ (2-phenoxyethy1)thio]-2H-1-benzopyran-2-one
|
BDBM10000
 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | | - (4-fluorophenyl)(6-methoxy-1-benzofuran-2-yl)pyridin-3-ylmethanol
- 6-Methoxybenzofuran-2-yl-(4-fluorophenyl)-3-pyridylmethanol
- Benzofuran Pyridine Derivative 4a
|
BDBM100000
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 6-chloranyl-8-[(4-methylpiperazin-1-yl)methyl]-7-oxidanyl-4-phenyl-chromen-2-one
- 6-chloro-7-hydroxy-8-[(4-methyl-1-piperazinyl)methyl]-4-phenyl-1-benzopyran-2-one
- 6-chloro-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-phenylchromen-2-one
- 6-chloro-7-hydroxy-8-[(4-methylpiperazino)methyl]-4-phenyl-coumarin
- MLS000036895
- SMR000042457
- cid_5389374
|
BDBM100001
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 7-(2-methoxyphenyl)-5-(4-methylphenyl)-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine
- 7-(2-methoxyphenyl)-5-(4-methylphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine
- 7-(2-methoxyphenyl)-5-(p-tolyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine
- MLS000040097
- SMR000042678
- cid_5389462
|
BDBM100002
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 3-(4-bromophenyl)-2-methyl-7-oxidanyl-8-(pyrrolidin-1-ylmethyl)chromen-4-one
- 3-(4-bromophenyl)-7-hydroxy-2-methyl-8-(1-pyrrolidinylmethyl)-1-benzopyran-4-one
- 3-(4-bromophenyl)-7-hydroxy-2-methyl-8-(pyrrolidin-1-ylmethyl)chromen-4-one
- 3-(4-bromophenyl)-7-hydroxy-2-methyl-8-(pyrrolidinomethyl)chromone
- MLS000083057
- SMR000044899
- cid_5389772
|
BDBM100003
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 5-ethyl-6-(2-pyridinyl)-6H-benzimidazolo[1,2-c]quinazoline
- 5-ethyl-6-(2-pyridyl)-6H-benzimidazolo[1,2-c]quinazoline
- 5-ethyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline
- MLS000082913
- SMR000045193
- cid_664311
|
BDBM100004
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 3-(4-bromophenyl)-7-hydroxy-8-(4-morpholinylmethyl)-1-benzopyran-4-one
- 3-(4-bromophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-4-one
- 3-(4-bromophenyl)-7-hydroxy-8-(morpholinomethyl)chromone
- 3-(4-bromophenyl)-8-(morpholin-4-ylmethyl)-7-oxidanyl-chromen-4-one
- MLS000083050
- SMR000045235
- cid_5389824
|
BDBM100005
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 1-(9-methoxy-5H-pyrimid[5,4-b]indol-4-yl)isonipecotic acid ethyl ester
- 1-(9-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-4-piperidinecarboxylic acid ethyl ester
- MLS000040611
- SMR000045614
- cid_664591
- ethyl 1-(9-methoxy-5H-pyrimido[5,4-b]indol-4-yl)piperidine-4-carboxylate
|
BDBM100006
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 1-[bis(2-methoxyethyl)amino]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile
- 1-[bis(2-methoxyethyl)amino]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile
- 1-[bis(2-methoxyethyl)amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- MLS000084004
- SMR000046970
- cid_665778
|
BDBM100007
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 2,8,10-trimethyl-N-(2-morpholin-4-ylethyl)pyrido[2,3]pyrazolo[2,4-a]pyrimidin-4-amine
- 2,8,10-trimethyl-N-[2-(4-morpholinyl)ethyl]-4-pyrido[2,3]pyrazolo[2,4-a]pyrimidinamine
- 2-morpholinoethyl-(2,8,10-trimethylpyrido[2,3]pyrazolo[2,4-a]pyrimidin-4-yl)amine
- MLS000083949
- SMR000048616
- cid_667283
|
BDBM100008
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 2-amino-3,5-dichloro-benzoic acid [2-keto-2-[(2-keto-2-methoxy-ethyl)amino]ethyl] ester
- 2-amino-3,5-dichlorobenzoic acid [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] ester
- MLS000058024
- SMR000063092
- [2-[(2-methoxy-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-3,5-bis(chloranyl)benzoate
- [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
- cid_2106737
|
BDBM100009
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 3-methyl-1-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]-4,6-bis(trifluoromethyl)pyrazolo[3,4-b]pyridine
- 3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4,6-bis(trifluoromethyl)pyrazolo[3,4-b]pyridine
- MLS000053578
- SMR000066416
- cid_2112393
|
BDBM10001
 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | | - (4-chlorophenyl)(6-methoxy-1-benzofuran-2-yl)pyridin-3-ylmethanol
- 6-Methoxybenzofuran-2-yl-(4-chlorophenyl)-3-pyridylmethanol
- Benzofuran Pyridine Derivative 4b
|
BDBM100010
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - (2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-methoxynaphthalene-2-carboxylate
- (2-morpholin-4-yl-2-oxoethyl) 3-methoxynaphthalene-2-carboxylate
- 3-methoxy-2-naphthalenecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester
- 3-methoxynaphthalene-2-carboxylic acid (2-keto-2-morpholino-ethyl) ester
- MLS000054284
- SMR000066227
- cid_2347973
|
BDBM100011
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - (3-methyl-1-pyridin-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)-morpholin-4-yl-methanone
- (3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridin-4-yl)-morpholin-4-ylmethanone
- MLS000053976
- SMR000063405
- [3-methyl-1-(2-pyridinyl)-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinyl]-(4-morpholinyl)methanone
- [3-methyl-1-(2-pyridyl)-6-(2-thienyl)pyrazolo[3,4-b]pyridin-4-yl]-morpholino-methanone
- cid_2999639
|
BDBM100012
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 1'-(ethoxycarbonyl)-1-methyl-9-oxo-8,9-dihydrospiro[furo[3,2-f]chromene-7,4'-piperidine]-2-carboxylic acid
- 1'-carbethoxy-9-keto-1-methyl-spiro[8H-furo[3,2-f]chromene-7,4'-piperidine]-2-carboxylic acid
- 1'-ethoxycarbonyl-1-methyl-9-oxidanylidene-spiro[8H-furo[3,2-f]chromene-7,4'-piperidine]-2-carboxylic acid
- 1'-ethoxycarbonyl-1-methyl-9-oxo-2-spiro[8H-furo[3,2-f][1]benzopyran-7,4'-piperidine]carboxylic acid
- 1'-ethoxycarbonyl-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,4'-piperidine]-2-carboxylic acid
- MLS000093697
- SMR000029315
- cid_3236756
|
BDBM100013
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 6-(4-morpholinyl)-3-[3-(1-piperidinyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one
- 6-morpholin-4-yl-3-(3-piperidin-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one
- 6-morpholin-4-yl-3-(3-piperidin-1-ylpropyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
- 6-morpholino-3-(3-piperidinopropyl)-2-thioxo-1H-quinazolin-4-one
- MLS000095423
- SMR000030977
- cid_3237415
|
BDBM100014
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 4-(3-cyano-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl)benzoic acid methyl ester
- 4-(3-cyano-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinolin-4-yl)benzoic acid methyl ester
- MLS000084922
- SMR000019268
- cid_3239514
- methyl 4-(3-cyano-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-4-yl)benzoate
- methyl 4-(3-cyano-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl)benzoate
- methyl 4-(3-cyano-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl)benzoate
|
BDBM100016
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 3-[3-keto-4-(2-piperidinoethyl)-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propionic acid
- 3-[3-oxidanylidene-4-(2-piperidin-1-ylethyl)-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid
- 3-[3-oxo-4-(2-piperidin-1-ylethyl)-3,4-dihydro[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid
- 3-[3-oxo-4-(2-piperidin-1-ylethyl)-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid
- 3-[3-oxo-4-[2-(1-piperidinyl)ethyl]-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid
- MLS000090309
- SMR000024919
- cid_3243524
|
BDBM100017
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 3-O-ethyl 8-O-methyl 4-(furan-2-ylmethylamino)quinoline-3,8-dicarboxylate
- 3-ethyl 8-methyl 4-[(2-furylmethyl)amino]-3,8-quinolinedicarboxylate
- 4-(2-furanylmethylamino)quinoline-3,8-dicarboxylic acid O3-ethyl ester O8-methyl ester
- 4-(2-furfurylamino)quinoline-3,8-dicarboxylic acid O3-ethyl ester O8-methyl ester
- MLS000063391
- O3-ethyl O8-methyl 4-(furan-2-ylmethylamino)quinoline-3,8-dicarboxylate
- SMR000072645
- cid_1078123
|
BDBM100018
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)sulfonylisonipecotic acid ethyl ester
- 1-[3-(2-imidazo[1,2-a]pyrimidinyl)phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester
- MLS000050929
- SMR000078644
- cid_2963573
- ethyl 1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)sulfonylpiperidine-4-carboxylate
- ethyl 1-[(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)sulfonyl]-4-piperidinecarboxylate
|
BDBM100019
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 4-[[3-cyano-6-methyl-4-(3-pyridinyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester
- 4-[[3-cyano-6-methyl-4-(3-pyridyl)-2-pyridyl]thio]-3-keto-butyric acid ethyl ester
- MLS000050710
- SMR000078182
- cid_2216919
- ethyl 4-(3-cyano-6-methyl-4-pyridin-3-yl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate
- ethyl 4-(3-cyano-6-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate
- ethyl 4-[(3'-cyano-6'-methyl-3,4'-bipyridin-2'-yl)thio]-3-oxobutanoate
|
BDBM100020
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 5-(1,3-dimethyl-4-pyrazolyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester
- 5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester
- MLS000051031
- SMR000078824
- cid_1259796
- ethyl 5-(1,3-dimethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
- ethyl 5-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
|
BDBM100021
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - MLS000116805
- SMR000093764
- cid_5308363
|
BDBM100022
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - MLS000101497
- SMR000016153
- cid_4433439
|
BDBM100023
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 7-(2-methoxyphenyl)-5-phenyl-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine
- 7-(2-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine
- MLS000112062
- SMR000107979
- cid_5310598
|
BDBM100024
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - MLS000113735
- N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide
- N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)ethanamide
- N-[2-(2-thienyl)-3H-benzimidazol-5-yl]acetamide
- SMR000109627
- cid_892943
|
BDBM100025
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 3-(2-furanylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one
- 3-(2-furfuryl)-2-phenyl-1,2-dihydroquinazolin-4-one
- 3-(furan-2-ylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one
- MLS000113614
- SMR000109510
- cid_2928530
|
BDBM100026
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 1-(2-oxolanylmethyl)-4-(3-thiophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
- 1-(tetrahydrofurfuryl)-4-(3-thienyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
- MLS000111356
- SMR000107280
- cid_2906112
- dimethyl 1-(oxolan-2-ylmethyl)-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate
|
BDBM100027
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - MLS000111994
- N-[4-(3-cyclohexyl-4-keto-1,2-dihydroquinazolin-2-yl)phenyl]acetamide
- N-[4-(3-cyclohexyl-4-oxidanylidene-1,2-dihydroquinazolin-2-yl)phenyl]ethanamide
- N-[4-(3-cyclohexyl-4-oxo-1,2-dihydroquinazolin-2-yl)phenyl]acetamide
- SMR000107912
- cid_2920453
|
BDBM100028
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 7-hydroxy-8-(4-morpholinylmethyl)-3-phenyl-1-benzopyran-4-one
- 7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one
- 7-hydroxy-8-(morpholinomethyl)-3-phenyl-chromone
- 8-(morpholin-4-ylmethyl)-7-oxidanyl-3-phenyl-chromen-4-one
- MLS000108260
- SMR000104221
- cid_5310763
|
BDBM100029
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)sulfonylmorpholine
- 4-[4-(2-imidazo[1,2-a]pyridinyl)phenyl]sulfonylmorpholine
- MLS000111470
- SMR000107392
- cid_696014
|
BDBM10003
 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | | - 1-[(6-Methoxybenzofuran-2-yl)-(4-methoxyphenyl)methyl]-1H-imidazole
- 1-[(6-methoxy-1-benzofuran-2-yl)(4-methoxyphenyl)methyl]-1H-imidazole
- Benzofuran Imidazole Derivative 6
|
BDBM100030
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 4-(4-carbomethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
- 4-(4-methoxycarbonylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
- MLS000111732
- SMR000107654
- cid_607320
- dimethyl 4-(4-methoxycarbonylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
|
BDBM100031
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - MLS000527663
- N-(2,3-dimethyl-6-quinoxalinyl)-1-piperidinecarboxamide
- N-(2,3-dimethylquinoxalin-6-yl)piperidine-1-carboxamide
- Piperidine-1-carboxylic acid (2,3-dimethyl-quinoxalin-6-yl)-amide
- SMR000120237
- cid_804520
|
BDBM100032
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 2-[4-amino-3-methyl-5-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-ylethanone
- 2-[4-azanyl-3-methyl-5-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone
- 2-[[4-amino-3-methyl-5-(3-methylphenyl)-6-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(1-pyrrolidinyl)ethanone
- 2-[[4-amino-3-methyl-5-(m-tolyl)pyrazolo[3,4-d]pyrimidin-6-yl]thio]-1-pyrrolidino-ethanone
- MLS000521277
- SMR000131685
- cid_5068278
|
BDBM100033
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 2-(benzalamino)benzamide
- 2-(benzylideneamino)benzamide
- 2-[(phenylmethylene)amino]benzamide
- 2-[(phenylmethylidene)amino]benzamide
- MLS000532040
- SMR000136982
- cid_794805
|
BDBM100034
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 2-[(4-methylbenzylidene)amino]benzamide
- 2-[(4-methylphenyl)methylideneamino]benzamide
- MLS000532027
- SMR000136969
- cid_794384
|
BDBM100035
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 3-nitrobenzoic acid [4-methoxy-2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]phenyl] ester
- 3-nitrobenzoic acid [4-methoxy-2-[(E)-3-(2-thienyl)acryloyl]phenyl] ester
- 4-methoxy-2-[3-(2-thienyl)acryloyl]phenyl 3-nitrobenzoate
- MLS000534539
- SMR000141976
- [4-methoxy-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate
- cid_5734470
|
BDBM100036
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 1'-acetyl-6-[2-(4-ethyl-1-piperazinyl)-2-oxoethoxy]-4-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]one
- 1'-acetyl-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]spiro[3H-chromene-2,4'-piperidine]-4-one
- 1'-acetyl-6-[2-(4-ethylpiperazino)-2-keto-ethoxy]spiro[chroman-2,4'-piperidine]-4-one
- 1'-ethanoyl-6-[2-(4-ethylpiperazin-1-yl)-2-oxidanylidene-ethoxy]spiro[3H-chromene-2,4'-piperidine]-4-one
- MLS000519979
- SMR000130394
- cid_9551115
|
BDBM100037
 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | | - 2-(4-ketospiro[chroman-2,1'-cyclohexane]-6-yl)oxyacetic acid ethyl ester
- 2-[(4-oxo-6-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclohexane]yl)oxy]acetic acid ethyl ester
- MLS000520940
- SMR000131349
- cid_6618951
- ethyl 2-(4-oxidanylidenespiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyethanoate
- ethyl 2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetate
|
BDBM100038
 | 0 | 0 | 0 | 1 | 0 | 0 |