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Compounds Sorted Alphabetically
Compound Name (alphabetical)
Binding Targets
Enz. Inhib. Data
ITC Data
Alternate Compound Names
  • PKC alpha [mouse]
  • PKC alpha and beta-2
  • Protein kinase C alpha type
  • Protein kinase C delta type
  • Protein kinase C, epsilon
5 Kd
  • Bryostatin
  • Bryostatin 7
  • Caspase-2
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
5 IC50
  • 2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate
  • Isoquinoline-1,3,4-trione 6k
  • phenyl[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamoyl]methyl acetate
  • Caspase-2
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
5 IC50
  • 3-Chloro-N-(1,2,3,4-tetrahydro-1,3,4-trioxoisoquinolin-6-yl)-propanamide
  • 3-chloro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
  • Isoquinoline-1,3,4-trione 9k
  • Caspase-2
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
5 IC50
  • 3-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)carbamoyl]propanoic acid
  • Isoquinoline-1,3,4-trione 12a
  • N-(1,3,4-Trioxo-1,2,3,4-tetrahydro-isoquinolin-6-yl)-succinamic acid
  • Caspase-2
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
5 IC50
  • 4-Oxo-4-piperidin-1-yl-N-(1,3,4-trioxo-1,2,3,4-tetrahydro-isoquinolin-6-yl)-butyramide
  • 4-oxo-4-(piperidin-1-yl)-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide
  • Isoquinoline-1,3,4-trione 13c
  • Caspase-2
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
5 IC50
  • Isoquinoline-1,3,4-trione 13f
  • N-(2-Methoxy-phenyl)-N-(1,3,4-trioxo-1,2,3,4-tetrahydro-isoquinolin-6-yl)-succinamide
  • N-(2-methoxyphenyl)-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide
  • Caspase-2
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
5 IC50
  • 4-nitro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
  • Isoquinoline-1,3,4-trione 14c
  • N-(1,2,3,4-Tetrahydro-1,3,4-trioxoisoquinolin-7-yl)-4-nitrobenzamide
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
8 Ki 17 IC50 1 EC50
3 ΔG°
  • (S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatin
  • 1-methyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • CHEMBL293034
  • IST-2
  • Isatin Sulfonamide 31
  • Pyrrolidine Isatin Analogue 11a
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
1 Ki 11 IC50
  • (S)-1-(4-Methoxybenzyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
  • 1-[(4-methoxyphenyl)methyl]-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • CHEMBL200677
  • Pyrrolidine Isatin Analogue 11b
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
6 IC50 5 EC50
  • (S)-1-(4-Fluorobenzyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
  • 1-[(4-fluorophenyl)methyl]-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • CHEMBL372607
  • Pyrrolidine Isatin Analogue 11c
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
6 IC50
  • (S)-1-(4-Methylthiobenzyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
  • 1-{[4-(methylsulfanyl)phenyl]methyl}-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • Pyrrolidine Isatin Analogue 11d
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
6 IC50
  • 4-[(2,3-dioxo-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indol-1-yl)methyl]phenyl acetate
  • Acetic Acid (S)-4-[2,3-Dioxo-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-2,3-dihydroindol-1-yl-methyl]phenyl Ester
  • Pyrrolidine Isatin Analogue 11e
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
1 Ki 11 IC50
  • (S)-1-(4-Hydroxybenzyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
  • 1-[(4-hydroxyphenyl)methyl]-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • CHEMBL200927
  • Pyrrolidine Isatin Analogue 11f
  • Cathepsin B
  • Cathepsin K
  • Cathepsin L2
  • Cathepsin S
  • Procathepsin L
5 Ki
  • US8552202, 63
  • Cathepsin B
  • Cathepsin K
  • Cathepsin L2
  • Cathepsin S
  • Procathepsin L
5 Ki
  • US8552202, Compound 1
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
6 IC50
  • (S)-1-(6-Fluoropyridin-3-yl-methyl)-5-(2-phenoxymethylpyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
  • 1-[(6-fluoropyridin-3-yl)methyl]-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • Pyrrolidine Isatin Analogue 11g
  • Cathepsin B
  • Cathepsin K
  • Cathepsin L2
  • Cathepsin S
  • Procathepsin L
5 Ki
  • US8552202, Compound 2
  • Cathepsin B
  • Cathepsin K
  • Cathepsin L2
  • Cathepsin S
  • Procathepsin L
5 Ki
  • US8552202, Compound 3
  • Cathepsin B
  • Cathepsin K
  • Cathepsin L2
  • Cathepsin S
  • Procathepsin L
5 Ki
  • US8552202, Compound 4
  • Cathepsin B
  • Cathepsin K
  • Cathepsin L2
  • Cathepsin S
  • Procathepsin L
5 Ki
  • US8552202, Compound 5
  • Cathepsin B
  • Cathepsin K
  • Cathepsin L2
  • Cathepsin S
  • Procathepsin L
5 Ki
  • US8552202, Example 1
  • Cathepsin B
  • Cathepsin K
  • Cathepsin L2
  • Cathepsin S
  • Procathepsin L
5 Ki
  • US8552202, Compound 6
  • Cathepsin B
  • Cathepsin K
  • Cathepsin L2
  • Cathepsin S
  • Procathepsin L
5 Ki
  • US8552202, Compound 7
  • Cathepsin B
  • Cathepsin K
  • Cathepsin L2
  • Cathepsin S
  • Procathepsin L
5 Ki
  • US8552202, Compound 8
  • Cathepsin B
  • Cathepsin K
  • Cathepsin L2
  • Cathepsin S
  • Procathepsin L
5 Ki
  • US8552202, Compound 9
  • Cathepsin B
  • Cathepsin K
  • Cathepsin L2
  • Cathepsin S
  • Procathepsin L
5 Ki
  • US8552202, Compound 10
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
6 IC50
  • (S)-1-(2-Fluoro-pyridin-4-yl-methyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
  • 1-[(2-fluoropyridin-4-yl)methyl]-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • Pyrrolidine Isatin Analogue 11h
  • Cathepsin B
  • Cathepsin K
  • Cathepsin L2
  • Cathepsin S
  • Procathepsin L
5 Ki
  • US8552202, Compound 11
  • Cathepsin B
  • Cathepsin K
  • Cathepsin L2
  • Cathepsin S
  • Procathepsin L
5 Ki
  • US8552202, Example 2
  • Cathepsin B
  • Cathepsin K
  • Cathepsin L2
  • Cathepsin S
  • Procathepsin L
5 Ki
  • US8552202, Compound 12
  • Cathepsin B
  • Cathepsin K
  • Cathepsin L2
  • Cathepsin S
  • Procathepsin L
5 Ki
  • US8552202, Example 3
  • Cathepsin B
  • Cathepsin K
  • Cathepsin L2
  • Cathepsin S
  • Procathepsin L
5 Ki
  • US8552202, Compound 13
  • Cathepsin B
  • Cathepsin K
  • Cathepsin L2
  • Cathepsin S
  • Procathepsin L
5 Ki
  • US8552202, Compound 14
  • Cathepsin B
  • Cathepsin K
  • Cathepsin L2
  • Cathepsin S
  • Procathepsin L
5 Ki
  • US8552202, Compound 15
  • Cathepsin B
  • Cathepsin K
  • Cathepsin L2
  • Cathepsin S
  • Procathepsin L
5 Ki
  • US8552202, Example 4
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
6 IC50
  • (S)-1-(6-Fluoro-pyridin-2-yl-methyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
  • 1-[(6-fluoropyridin-2-yl)methyl]-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • Pyrrolidine Isatin Analogue 11i
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
6 IC50 1 EC50
  • (S)-5-(2-Phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione
  • 5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • Azetidine Isatin Analogue 17
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
6 IC50 1 EC50
  • (S)-1-Methyl-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione
  • 1-methyl-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • Azetidine Isatin Analogue 18a
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
6 IC50 1 EC50
  • (S)-1-Benzyl-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione
  • 1-benzyl-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • Azetidine Isatin Analogue 18b
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
6 IC50 1 EC50
  • (S)-1-(4-Methoxybenzyl)-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione
  • 1-[(4-methoxyphenyl)methyl]-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • Azetidine Isatin Analogue 18c
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
6 IC50
  • (S)-1-(4-Methylthiobenzyl)-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione
  • 1-{[4-(methylsulfanyl)phenyl]methyl}-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • Azetidine Isatin Analogue 18d
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
6 IC50
  • (S)-1-(4-Fluorobenzyl)-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione
  • 1-[(4-fluorophenyl)methyl]-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • Azetidine Isatin Analogue 18e
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
6 IC50
  • (S)-1-(2-Fluorobenzyl)-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione
  • 1-[(2-fluorophenyl)methyl]-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • Azetidine Isatin Analogue 18f
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
6 IC50
  • (S)-1-(6-Fluoropyridin-3-ylmethyl)-5-(2-phenoxymethyl-azetidine1-sulfonyl)-1H-indole-2,3-dione
  • 1-[(6-fluoropyridin-3-yl)methyl]-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • Azetidine Isatin Analogue 18g
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
6 IC50
  • (S)-1-(2-Fluoropyridin-4-yl-methyl)-5-(2-phenoxymethyl-azetidine1-sulfonyl)-1H-indole-2,3-dione
  • 1-[(2-fluoropyridin-4-yl)methyl]-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • Azetidine Isatin Analogue 18h
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
6 IC50
  • (S)-1-(6-Fluoropyridin-2-yl-methyl)-5-(2-phenoxymethyl-azetidine--1-sulfonyl)-1H-indole-2,3-dione
  • 1-[(6-fluoropyridin-2-yl)methyl]-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • Azetidine Isatin Analogue 18i
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
1 Ki 6 IC50 1 EC50
1 ΔG°
  • 5-(2-(Pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
  • 5-{[(2S)-2-[(pyridin-3-yloxy)methyl]pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • IST-1
  • Pyridine Analogue 20
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
6 IC50 1 EC50
  • 1-Methyl-5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl)--1H-indole-2,3-dione
  • 1-methyl-5-{[(2S)-2-[(pyridin-3-yloxy)methyl]pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • Pyridine Analogue 21a
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
6 IC50 1 EC50
  • 1-Benzyl-5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
  • 1-benzyl-5-{[(2S)-2-[(pyridin-3-yloxy)methyl]pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • Pyridine Analogue 21b
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
1 Ki 6 IC50 1 EC50
  • 1-(4-Methoxybenzyl)-5-(2-(pyridin-3-yl-oxymethyl)-pyrolidine-1-sulfonyl)-1H-indole-2,3-dione
  • 1-[(4-methoxyphenyl)methyl]-5-{[(2S)-2-[(pyridin-3-yloxy)methyl]pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • Pyridine Analogue 21c
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
6 IC50
  • 1-(4-Methylthiobenzyl)-5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
  • 1-{[4-(methylsulfanyl)phenyl]methyl}-5-{[(2S)-2-[(pyridin-3-yloxy)methyl]pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • Pyridine Analogue 21d
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
6 IC50
  • 1-(4-Fluorobenzyl)-5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
  • 1-[(4-fluorophenyl)methyl]-5-{[(2S)-2-[(pyridin-3-yloxy)methyl]pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • Pyridine Analogue 21e
  • Caspase-1
  • Caspase-3
  • Caspase-6
  • Caspase-7
  • Caspase-8
6 IC50
  • 5-(2-(Pyridin-4-yl-oxymethyl)-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
  • 5-{[(2S)-2-[(pyridin-4-yloxy)methyl]pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
  • Pyridine Analogue 23
  • D(2) dopamine receptor
  • Homo sapiens lysine demethylase 2A (KDM2A)
  • Jumonji domain-containing protein 2C (JMJD2C)
  • Lysine-specific demethylase 3A
  • Lysine-specific demethylase 5C
5 IC50
  • 4HQ derivative 9
  • HIV-1 protease
  • HIV-1 protease M1
  • HIV-1 protease M2
  • HIV-1 protease M3
  • HIV-1 protease M4
5 Ki
  • N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylpropyl)amino]-2-hydroxy-1- (phenylmethyl)propyl]-3-hydroxy-benzamide (AF-69)
  • HIV-1 protease
  • HIV-1 protease M1
  • HIV-1 protease M2
  • HIV-1 protease M3
  • HIV-1 protease M4
5 Ki
  • 3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[[5-(5-isoxazolyl)-2-thienyl]sulfonyl][(2S)-2- methylbutyl]amino]-1-(phenylmethyl)propyl]-benzamide (AF-71)
  • HIV-1 protease
  • HIV-1 protease M1
  • HIV-1 protease M2
  • HIV-1 protease M3
  • HIV-1 protease M4
7 Ki
  • MIT-2-KB-83 (KB-83)
  • HIV-1 protease
  • HIV-1 protease M1
  • HIV-1 protease M2
  • HIV-1 protease M3
  • HIV-1 protease M4
5 Ki
  • 3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino]- 1-(phenylmethyl)propyl]-benzamide (AF-78)
  • Acetylcholinesterase
  • Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)
  • Carboxylic ester hydrolase
  • Rhodesain
  • Trypanothione reductase
1 Ki 9 IC50
  • Bis-THA inhibitor 1c
  • Bis-THA inhibitor 8
  • CHEMBL424707
  • N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]-1,2,3,4-tetrahydroacridin-9-amine
  • Coagulation factor X
  • Matriptase
  • Plasminogen
  • Prothrombin
  • Urokinase-type plasminogen activator
6 Ki
  • CHEMBL468270
  • US8569313, Inhibitor 16
  • Coagulation factor X
  • Matriptase
  • Plasminogen
  • Prothrombin
  • Urokinase-type plasminogen activator
6 Ki
  • CHEMBL493116
  • US8569313, Inhibitor 23
  • Coagulation factor X
  • Matriptase
  • Plasminogen
  • Prothrombin
  • Urokinase-type plasminogen activator
6 Ki
  • CHEMBL493936
  • US8569313, Inhibitor 24
  • Coagulation factor X
  • Matriptase
  • Plasminogen
  • Prothrombin
  • Urokinase-type plasminogen activator
6 Ki
  • CHEMBL523865
  • US8569313, Inhibitor 25
  • Coagulation factor X
  • Matriptase
  • Plasminogen
  • Prothrombin
  • Urokinase-type plasminogen activator
6 Ki
  • CHEMBL507322
  • US8569313, Inhibitor 26
  • Aurora kinase A/Targeting protein for Xklp2
  • Aurora kinase B
  • Bromodomain testis-specific protein
  • Bromodomain-containing protein 4
  • Serine/threonine-protein kinase Aurora-C
5 IC50
  • US9695172, 2-221
  • 11-beta-hydroxysteroid dehydrogenase
  • 11-beta-hydroxysteroid dehydrogenase 1
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 3A
13 IC50
  • US8575157, 201
  • US8592410, Comparator 13
  • US8598163, 71
  • 11-beta-hydroxysteroid dehydrogenase
  • 11-beta-hydroxysteroid dehydrogenase 1
  • Cytochrome P450 2C19
  • Cytochrome P450 2C9
  • Cytochrome P450 3A
9 IC50
  • US8575157, 30
  • 11-beta-hydroxysteroid dehydrogenase
  • 11-beta-hydroxysteroid dehydrogenase 1
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6
  • Cytochrome P450 3A
7 IC50
  • US8598163, 3
  • α-galactosidase
  • α-glucosidase
  • β-galactosidase
  • β-glucosidase
  • Lysosomal acid glucosylceramidase
1 Ki 6 IC50
  • 5-(hydroxymethyl)-5H,6H,7H,8H-imidazo[1,2- a]pyridine-6,7,8-triol (Compound 1)
  • α-galactosidase
  • α-glucosidase
  • β-galactosidase
  • β-glucosidase
  • Lysosomal acid glucosylceramidase
1 Ki 6 IC50
  • 5-(hydroxymethyl)-2-(2-phenylethyl)-5H,6H,7H,8H- imidazo[1,2-a]pyridine-6,7,8-triol (Compound 2)
  • α-galactosidase
  • α-glucosidase
  • β-galactosidase
  • β-glucosidase
  • Lysosomal acid glucosylceramidase
1 Ki 6 IC50
  • 2-(3,3-dimethylbutyl)-5-(hydroxymethyl)- 5H,6H,7H,8H-imidazo[1,2-a]pyridine-6,7,8-triol (Compound 3)
  • α-galactosidase
  • α-glucosidase
  • β-galactosidase
  • β-glucosidase
  • Lysosomal acid glucosylceramidase
1 Ki 6 IC50
  • 5-(hydroxymethyl)-2-octyl-5H,6H,7H,8H-imidazo[1,2- a]pyridine-6,7,8-triol (Compound 4)
  • α-galactosidase
  • α-glucosidase
  • β-galactosidase
  • β-glucosidase
  • Lysosomal acid glucosylceramidase
1 Ki 6 IC50
  • 5-(hydroxymethyl)-2-[3-(4-methylphenyl)propyl]- 5H,6H,7H,8H-imidazo[1,2-a]pyridine-6,7,8-triol (Compound 5)
  • α-galactosidase
  • α-glucosidase
  • β-galactosidase
  • β-glucosidase
  • Lysosomal acid glucosylceramidase
1 Ki 6 IC50
  • 5-(hydroxymethyl)-2-[3-(4-methoxyphenyl)propyl]- 5H,6H,7H,8H-imidazo[1,2-a]pyridine-6,7,8-triol (Compound 6)
  • α-galactosidase
  • α-glucosidase
  • β-galactosidase
  • β-glucosidase
  • Lysosomal acid glucosylceramidase
1 Ki 6 IC50
  • 5-(hydroxymethyl)-2-[3-(4-phenylphenyl)propyl]- 5H,6H,7H,8H-imidazo[1,2-a]pyridine-6,7,8-triol (Compound 7)
  • α-galactosidase
  • α-glucosidase
  • β-galactosidase
  • β-glucosidase
  • Lysosomal acid glucosylceramidase
1 Ki 6 IC50
  • 2-[3-(4-cyclohexylphenyl)propyl]-5-(hydroxymethyl)- 5H,6H,7H,8H-imidazo[1,2-a]pyridine-6,7,8-triol (Compound 8)
  • α-galactosidase
  • α-glucosidase
  • β-galactosidase
  • β-glucosidase
  • Lysosomal acid glucosylceramidase
1 Ki 6 IC50
  • 2-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)- 5H,6H,7H,8H-imidazo[1,2-a]pyridine-6,7,8-triol (Compound 9)
  • α-galactosidase
  • α-glucosidase
  • β-galactosidase
  • β-glucosidase
  • Lysosomal acid glucosylceramidase
1 Ki 6 IC50
  • N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)- 5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-yl]butanamide (Compound 10)
  • α-galactosidase
  • α-glucosidase
  • β-galactosidase
  • β-glucosidase
  • Lysosomal acid glucosylceramidase
1 Ki 6 IC50
  • 2,2-dimethyl-N-phenyl-5-[6,7,8-trihydroxy-5- (hydroxymethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyridin-2- yl]pentanamide (Compound 11)
  • Cyclin-Dependent Kinase 1 (CDK1)
  • Cyclin-Dependent Kinase 5 (CDK5)
  • Glycogen Synthase Kinase-3, beta
  • cAMP-Dependent Protein Kinase (PKA)
  • cGMP-Dependent Protein Kinase
5 IC50
  • 4-(5,6-dibromo-1H-indol-3-yl)pyrimidin-2-amine
  • Meridianin F
  • Cyclin-Dependent Kinase 1 (CDK1)
  • Cyclin-Dependent Kinase 5 (CDK5)
  • Glycogen Synthase Kinase-3, beta
  • cAMP-Dependent Protein Kinase (PKA)
  • cGMP-Dependent Protein Kinase
5 IC50
  • 4-(5-bromo-1H-indol-2-yl)pyrimidin-2-amine
  • isomeridianin C
  • Bile acid receptor
  • Carbonic Anhydrase (hpCA)
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • EBifunctional epoxide hydrolase 2
3 Ki 1 IC50 1 EC50
  • 4-(4-tert-Butylphenylcarboxamidomethyl)benzenesulfonamide
  • 4-tert-butyl-N-[(4-sulfamoylphenyl)methyl]benzamide
  • aromatic/heteroaromatic sulfonamide 28
  • Apoptosis regulator Bcl-2
  • BCL-W
  • Bcl-2-like protein 1
  • Induced myeloid leukemia cell differentiation protein Mcl-1
  • Isoform Bcl-X(L)
10 IC50 1 Kd
  • 6-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl)picolinic acid (Compound 3)
  • CHEMBL2398173
  • Apoptosis regulator Bcl-2
  • BCL-W
  • Bcl-2-like protein 1
  • Induced myeloid leukemia cell differentiation protein Mcl-1
  • Isoform Bcl-X(L)
10 IC50
  • 2-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl)thiazole-4-carboxylic acid (Compound 4)
  • CHEMBL2398260
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Trace amine-associated receptor 1
  • Trace amine-associated receptor 1 (TAAR1)
1 Ki 3 IC50 1 EC50
  • US8604061, 292
  • Calpain-2 (m-Calpain)
  • Calpain1/2
  • Cathepsin B
  • Procathepsin L
  • Protein-tyrosine phosphatase 1B
5 IC50
  • 1-(2,4-Dihydroxyphenyl)-3-(furan-2-yl)propenone (10)
  • Acetylcholinesterase
  • Bile salt export pump
  • Bile salt export pump (BSEP)
  • Cholinesterases
  • Genome polyprotein
1 Ki 14 IC50
  • (3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-methylcarbamate; 2-hydroxybenzoic acid
  • Eserine
  • cid_657348
  • physostigmine.salicylic acid
  • Cyclooxygenase
  • Lipoxygenase (LOX)
  • Phospholipase A2
  • Prostaglandin E synthase
  • Prostaglandin G/H synthase (cyclooxygenase)
5 IC50
  • 2,6-Bis[4-(methylaminoethanol)benzylidine] cyclohexanone (1)
  • Cyclooxygenase
  • Lipoxygenase (LOX)
  • Phospholipase A2
  • Prostaglandin E synthase
  • Prostaglandin G/H synthase (cyclooxygenase)
5 IC50
  • 2,6-Bis(2,3-dimethoxybenzylidene)cyclohexanone (3)
  • Cyclooxygenase
  • Lipoxygenase (LOX)
  • Phospholipase A2
  • Prostaglandin E synthase
  • Prostaglandin G/H synthase (cyclooxygenase)
5 IC50
  • 2,6-Bis[2-methyl-4(N-ethyl-N-ethylacetonitrile) aniline]cyclohexanone (6)
  • Cyclooxygenase
  • Lipoxygenase (LOX)
  • Phospholipase A2
  • Prostaglandin E synthase
  • Prostaglandin G/H synthase (cyclooxygenase)
5 IC50
  • (1Z,4Z)-1,5-Bis [4-(methylaminoethanol)phenyl]- 1,4-pentadiene-3-one (7)
  • Cyclooxygenase
  • Lipoxygenase (LOX)
  • Phospholipase A2
  • Prostaglandin E synthase
  • Prostaglandin G/H synthase (cyclooxygenase)
5 IC50
  • (1E,4E)‐1,5‐bis[4‐(diethylamino)phenyl]penta‐1,4‐ dien‐3‐one (11)
  • Cyclooxygenase
  • Lipoxygenase (LOX)
  • Phospholipase A2
  • Prostaglandin E synthase
  • Prostaglandin G/H synthase (cyclooxygenase)
5 IC50
  • (1E,4E)-1,5-Bis[2-methyl-4(N-ethyl-Nethylacetonitrile) aniline]-1,4-pentadiene-3-one (12)
  • HIV-1 protease (Wt)
  • HIV-1 protease M1
  • HIV-1 protease M2
  • HIV-1 protease M3
  • Protease
6 Ki
  • (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-3-hydroxy-4-(4-(hydroxymethyl)-N-((S)-2-methylbutyl)phenylsulfonamido)-1-phenylbutan-2-yl)carbamate (10c)
  • HIV-1 protease (Wt)
  • HIV-1 protease M1
  • HIV-1 protease M2
  • HIV-1 protease M3
  • Protease
6 Ki
  • (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-(N-(2-ethylbutyl)-4-(hydroxymethyl)phenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate (11c)
  • Arachidonate 5-lipoxygenase
  • Casein Kinase II
  • Sialidase 2
  • Thioredoxin reductase 1, cytoplasmic
  • Thioredoxin reductase 2, mitochondrial
1 Ki 4 IC50
  • 1,8-dihydroxy-9,10-dihydroanthracene-9,10-dione
  • 1,8-dihydroxy-anthraquinone
  • Anthraquinone-related compound
  • CHEMBL53418
  • Casein kinase II alpha/beta
  • Casein kinase II subunit alpha
  • Dual-specificity tyrosine-phosphorylation regulated kinase 1A
  • Hepatitis C virus serine protease, NS3/NS4A
  • Ribosyldihydronicotinamide dehydrogenase [quinone]
4 Ki 8 IC50 2 Kd
  • 4,5,6,7-tetrabromo-1H-1,2,3-benzotriazole
  • 4,5,6,7-tetrabromo-1H-benzotriazole (14)
  • CHEMBL177820
  • TBB
  • Dipeptidyl peptidase 2 (DPP II)
  • Dipeptidyl peptidase 4
  • Dipeptidyl peptidase 9
  • Dipeptidyl peptidase VIII
  • Potassium voltage-gated channel subfamily H member 2
2 Ki 8 IC50
  • CHEMBL22310
  • N-{4-[(1S)-1-amino-2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]cyclohexyl}-2,4-difluorobenzene-1-sulfonamide
  • difluorobenzenesulfonamide 1
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Dipeptidyl peptidase 4
  • Multidrug resistance-associated protein 4
1 Ki 4 IC50
  • (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile; 2,2,2-trifluoroacetic acid
  • (S)-3-Hydroxyadamantylglycine-L-cis-4,5-methanoprolinenitrile TFA salt
  • BMS-477118
  • Saxagliptin
  • 72 kDa type IV collagenase
  • Collagenase 3
  • Disintegrin and metalloproteinase domain-containing protein 17
  • Interstitial collagenase
  • Matrix metalloproteinase-9
11 Ki 2 IC50
  • CHEMBL100570
  • N-hydroxy-2-[(4-methoxy-1,1-biphenyl-4-yl)methyl]isothiazolidine-3-carboxamide 1,1-dioxide
  • N-hydroxy-2-{[4-(4-methoxyphenyl)phenyl]methyl}-1,1-dioxo-1,2-thiazolidine-3-carboxamide
  • Sultam Hydroxamate 15a
  • Astrosclerin-3
  • Carbonic Anhydrase IV
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Carbonic anhydrase 9
11 Ki
  • 4-Amino-3,5-diiodobenzenesulfonamide
  • 4-amino-3,5-diiodobenzene-1-sulfonamide
  • halogenosulfanilamide deriv. 14
  • Carbonic Anhydrase IV
  • Carbonic Anhydrase VA
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Carbonic anhydrase 9
8 Ki
  • N-{4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}acetamide
  • aminobenzolamide 16a
  • aminobenzolamide deriv. 39
  • Carbonic Anhydrase IV
  • Carbonic Anhydrase VA
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Carbonic anhydrase 9
8 Ki
  • 5-(4-Acetamido-3-fluorobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
  • N-{2-fluoro-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}acetamide
  • aminobenzolamide 16b
  • aminobenzolamide deriv. 40
  • Carbonic Anhydrase IV
  • Carbonic Anhydrase VA
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Carbonic anhydrase 9
8 Ki
  • 5-(4-Acetamido-3-chlorobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
  • N-{2-chloro-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}acetamide
  • aminobenzolamide 16c
  • aminobenzolamide deriv. 41
  • Carbonic Anhydrase IV
  • Carbonic Anhydrase VA
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Carbonic anhydrase 9
8 Ki
  • 5-(4-Acetamido-3-bromobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
  • N-{2-bromo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}acetamide
  • aminobenzolamide 16d
  • aminobenzolamide deriv. 42
  • Carbonic Anhydrase IV
  • Carbonic Anhydrase VA
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Carbonic anhydrase 9
6 Ki
  • 2,3,4,5,6-pentafluoro-N-(3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)benzamide
  • Sulfonamide 1
  • heterocyclic sulfonamide compound 38
  • Dipeptidyl peptidase 2 (DPP II)
  • Dipeptidyl peptidase 4
  • Dipeptidyl peptidase 9
  • Dipeptidyl peptidase VIII
  • Potassium voltage-gated channel subfamily H member 2
7 IC50
  • (2S,3S)-2-amino-3-[3-(2-chloro-4-methanesulfonylphenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrrolidin-1-yl)butan-1-one
  • CHEMBL437206
  • alpha-amino acid pyrrolidide 28
  • oxadiazole based amide
  • Egl nine homolog 1
  • Egl nine homolog 2
  • Hypoxia-inducible factor 1 (FIH)
  • Prolyl 3-hydroxylase OGFOD1
  • Prolyl 4-hydroxylase
5 IC50
  • US8653111, 62
  • 72 kDa type IV collagenase
  • Collagenase (ChC)
  • Interstitial collagenase
  • Matrix metalloproteinase-9
  • Neutrophil collagenase
5 Ki
  • 2-benzenesulfonamido-3-phenyl-N-{1-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}propanamide
  • 5-mercapto-1,3,4-thiadiazole 12a
  • 72 kDa type IV collagenase
  • Collagenase (ChC)
  • Interstitial collagenase
  • Matrix metalloproteinase-9
  • Neutrophil collagenase
5 Ki
  • 3-phenyl-2-(phenylmethane)sulfonamido-N-{1-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}propanamide
  • 5-mercapto-1,3,4-thiadiazole 12b
  • 72 kDa type IV collagenase
  • Collagenase (ChC)
  • Interstitial collagenase
  • Matrix metalloproteinase-9
  • Neutrophil collagenase
5 Ki
  • 2-[(4-fluorobenzene)sulfonamido]-3-phenyl-N-{1-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}propanamide
  • 5-mercapto-1,3,4-thiadiazole 12c
  • 72 kDa type IV collagenase
  • Collagenase (ChC)
  • Interstitial collagenase
  • Matrix metalloproteinase-9
  • Neutrophil collagenase
5 Ki
  • 2-[(4-chlorobenzene)sulfonamido]-3-phenyl-N-{1-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}propanamide
  • 5-mercapto-1,3,4-thiadiazole 12d
  • 72 kDa type IV collagenase
  • Collagenase (ChC)
  • Interstitial collagenase
  • Matrix metalloproteinase-9
  • Neutrophil collagenase
5 Ki
  • 2-[(4-bromobenzene)sulfonamido]-3-phenyl-N-{1-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}propanamide
  • 5-mercapto-1,3,4-thiadiazole 12e
  • 72 kDa type IV collagenase
  • Collagenase (ChC)
  • Interstitial collagenase
  • Matrix metalloproteinase-9
  • Neutrophil collagenase
5 Ki
  • 2-[(4-iodobenzene)sulfonamido]-3-phenyl-N-{1-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}propanamide
  • 5-mercapto-1,3,4-thiadiazole 12f
  • 72 kDa type IV collagenase
  • Collagenase (ChC)
  • Interstitial collagenase
  • Matrix metalloproteinase-9
  • Neutrophil collagenase
5 Ki
  • 2-[(4-methylbenzene)sulfonamido]-3-phenyl-N-{1-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}propanamide
  • 5-mercapto-1,3,4-thiadiazole 12g
  • 72 kDa type IV collagenase
  • Collagenase (ChC)
  • Interstitial collagenase
  • Matrix metalloproteinase-9
  • Neutrophil collagenase
5 Ki
  • 2-[(4-nitrobenzene)sulfonamido]-3-phenyl-N-{1-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}propanamide
  • 5-mercapto-1,3,4-thiadiazole 12h
  • 72 kDa type IV collagenase
  • Collagenase (ChC)
  • Interstitial collagenase
  • Matrix metalloproteinase-9
  • Neutrophil collagenase
5 Ki
  • 2-[(3-nitrobenzene)sulfonamido]-3-phenyl-N-{1-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}propanamide
  • 5-mercapto-1,3,4-thiadiazole 12i
  • 72 kDa type IV collagenase
  • Collagenase (ChC)
  • Interstitial collagenase
  • Matrix metalloproteinase-9
  • Neutrophil collagenase
5 Ki
  • 2-[(2-nitrobenzene)sulfonamido]-3-phenyl-N-{1-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}propanamide
  • 5-mercapto-1,3,4-thiadiazole 12j
  • 72 kDa type IV collagenase
  • Collagenase (ChC)
  • Interstitial collagenase
  • Matrix metalloproteinase-9
  • Neutrophil collagenase
5 Ki
  • 2-[(4-acetamidobenzene)sulfonamido]-3-phenyl-N-{1-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}propanamide
  • 5-mercapto-1,3,4-thiadiazole 12k
  • 72 kDa type IV collagenase
  • Collagenase (ChC)
  • Interstitial collagenase
  • Matrix metalloproteinase-9
  • Neutrophil collagenase
5 Ki
  • 2-[(2,3,4,5,6-pentafluorobenzene)sulfonamido]-3-phenyl-N-{1-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}propanamide
  • 5-mercapto-1,3,4-thiadiazole 12m
  • 72 kDa type IV collagenase
  • Collagenase (ChC)
  • Interstitial collagenase
  • Matrix metalloproteinase-9
  • Neutrophil collagenase
5 Ki
  • 3-phenyl-N-{1-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}-2-{[3-(trifluoromethyl)benzene]sulfonamido}propanamide
  • 5-mercapto-1,3,4-thiadiazole 12n
  • 72 kDa type IV collagenase
  • Collagenase (ChC)
  • Interstitial collagenase
  • Matrix metalloproteinase-9
  • Neutrophil collagenase
5 Ki
  • 2-[(2,5-dichlorobenzene)sulfonamido]-3-phenyl-N-{1-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}propanamide
  • 5-mercapto-1,3,4-thiadiazole 12o
  • 72 kDa type IV collagenase
  • Collagenase (ChC)
  • Interstitial collagenase
  • Matrix metalloproteinase-9
  • Neutrophil collagenase
5 Ki
  • 2-[(4-methoxybenzene)sulfonamido]-3-phenyl-N-{1-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}propanamide
  • 5-mercapto-1,3,4-thiadiazole 12p
  • 72 kDa type IV collagenase
  • Collagenase (ChC)
  • Interstitial collagenase
  • Matrix metalloproteinase-9
  • Neutrophil collagenase
5 Ki
  • 3-phenyl-N-{1-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}-2-[(2,4,6-trimethylbenzene)sulfonamido]propanamide
  • 5-mercapto-1,3,4-thiadiazole 12q
  • 72 kDa type IV collagenase
  • Collagenase (ChC)
  • Interstitial collagenase
  • Matrix metalloproteinase-9
  • Neutrophil collagenase
5 Ki
  • 2-(naphthalene-1-sulfonamido)-3-phenyl-N-{1-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}propanamide
  • 5-mercapto-1,3,4-thiadiazole 12r
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