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Compounds Sorted by Binding Targets per Compound

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22   23   24   25   26   27   28   29   30   31   32   33   34   35   36   37   38   39   40   41   42   
43   44   45   46   47   48   49   50   51   52   53   54   55   56   57   58   59   60   61   62   63   
64   65   66   67   68   69   70   73   74   75   76   77   79   81   84   86   89   95   96   100   108   
109   120   124   130   137   143   154   156   168   186   224   237   259   276   278   284   303   304   310   314   323   
339   369   370   371   372   373   374   375   376   377   378   380   381   383   384   385   386   387   388   389   391   
393   394   395   397   401   402   405   407   417   418   427   428   442   445   512   
Compounds Sorted Alphabetically
Compound Name
(alphabetical)
Binding TargetsEnz. Inhib. DataITC DataAlternate Compound Names
KiIC50KdEC50KoffKonOther
BDBM1000
PNG
  • HIV-1 Protease
01000000
  • 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
PNG
  • Cytochrome P450 19A1
01000000
  • (4-fluorophenyl)(6-methoxy-1-benzofuran-2-yl)pyridin-3-ylmethanol
  • 6-Methoxybenzofuran-2-yl-(4-fluorophenyl)-3-pyridylmethanol
  • Benzofuran Pyridine Derivative 4a
BDBM100000
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Cytochrome P450 19A1
01000000
  • (4-chlorophenyl)(6-methoxy-1-benzofuran-2-yl)pyridin-3-ylmethanol
  • 6-Methoxybenzofuran-2-yl-(4-chlorophenyl)-3-pyridylmethanol
  • Benzofuran Pyridine Derivative 4b
BDBM100010
PNG
  • Kallikrein 7
00010000
  • (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
PNG
  • Kallikrein 7
00010000
  • (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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
BDBM10002
PNG
  • Cytochrome P450 19A1
02000000
  • (6-Methoxybenzofuran-2-yl)-(4-methoxyphenyl)-3-pyridyl-methanol
  • (6-methoxy-1-benzofuran-2-yl)(4-methoxyphenyl)pyridin-3-ylmethanol
  • Benzofuran Pyridine Derivative 4c
BDBM100020
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • MLS000116805
  • SMR000093764
  • cid_5308363
BDBM100022
PNG
  • Kallikrein 7
00010000
  • MLS000101497
  • SMR000016153
  • cid_4433439
BDBM100023
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Cytochrome P450 19A1
01000000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 2-(benzalamino)benzamide
  • 2-(benzylideneamino)benzamide
  • 2-[(phenylmethylene)amino]benzamide
  • 2-[(phenylmethylidene)amino]benzamide
  • MLS000532040
  • SMR000136982
  • cid_794805
BDBM100034
PNG
  • Kallikrein 7
00010000
  • 2-[(4-methylbenzylidene)amino]benzamide
  • 2-[(4-methylphenyl)methylideneamino]benzamide
  • MLS000532027
  • SMR000136969
  • cid_794384
BDBM100035
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010000
  • 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
PNG
  • Kallikrein 7
00010
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