Compile Data Set for Download or QSAR
Found 23 Enz. Inhib. hit(s) with all data for entry = 50011004
TargetCathepsin G(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101132(1,3-Dibenzyl-[1,3]diazetidine-2,4-dione | CHEMBL47...)
Show SMILES O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C16H14N2O2/c19-15-17(11-13-7-3-1-4-8-13)16(20)18(15)12-14-9-5-2-6-10-14/h1-10H,11-12H2
Affinity DataIC50: 0.390nMAssay Description:Compound was evaluated for its inhibitory activity against human cathepsin GMore data for this Ligand-Target Pair
TargetChymotrypsin-C(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101132(1,3-Dibenzyl-[1,3]diazetidine-2,4-dione | CHEMBL47...)
Show SMILES O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C16H14N2O2/c19-15-17(11-13-7-3-1-4-8-13)16(20)18(15)12-14-9-5-2-6-10-14/h1-10H,11-12H2
Affinity DataIC50: 0.690nMAssay Description:Compound was evaluated for its inhibitory activity against bovine pancreatic alpha-chymotrypsinMore data for this Ligand-Target Pair
TargetChymase(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101136(1,3-Bis-benzo[1,3]dioxol-5-ylmethyl-[1,3]diazetidi...)
Show SMILES O=C1N(Cc2ccc3OCOc3c2)C(=O)N1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C18H14N2O6/c21-17-19(7-11-1-3-13-15(5-11)25-9-23-13)18(22)20(17)8-12-2-4-14-16(6-12)26-10-24-14/h1-6H,7-10H2
Affinity DataIC50: 0.850nMAssay Description:Compound was evaluated for its inhibitory activity against human Serine protease chymaseMore data for this Ligand-Target Pair
TargetChymase(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101135(1,3-Bis-(4-methoxy-benzyl)-[1,3]diazetidine-2,4-di...)
Show SMILES COc1ccc(CN2C(=O)N(Cc3ccc(OC)cc3)C2=O)cc1
Show InChI InChI=1S/C18H18N2O4/c1-23-15-7-3-13(4-8-15)11-19-17(21)20(18(19)22)12-14-5-9-16(24-2)10-6-14/h3-10H,11-12H2,1-2H3
Affinity DataIC50: 2nMAssay Description:Compound was evaluated for its inhibitory activity against human Serine protease chymaseMore data for this Ligand-Target Pair
TargetCathepsin G(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101131(1,3-Di-p-tolyl-[1,3]diazetidine-2,4-dione | CHEMBL...)
Show SMILES Cc1ccc(cc1)N1C(=O)N(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C16H14N2O2/c1-11-3-7-13(8-4-11)17-15(19)18(16(17)20)14-9-5-12(2)6-10-14/h3-10H,1-2H3
Affinity DataIC50: 2.30nMAssay Description:Compound was evaluated for its inhibitory activity against human cathepsin GMore data for this Ligand-Target Pair
TargetChymase(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101137(1,3-Bis-(3-methoxy-benzyl)-[1,3]diazetidine-2,4-di...)
Show SMILES COc1cccc(CN2C(=O)N(Cc3cccc(OC)c3)C2=O)c1
Show InChI InChI=1S/C18H18N2O4/c1-23-15-7-3-5-13(9-15)11-19-17(21)20(18(19)22)12-14-6-4-8-16(10-14)24-2/h3-10H,11-12H2,1-2H3
Affinity DataIC50: 2.30nMAssay Description:Compound was evaluated for its inhibitory activity against human Serine protease chymaseMore data for this Ligand-Target Pair
TargetChymotrypsin-C(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101131(1,3-Di-p-tolyl-[1,3]diazetidine-2,4-dione | CHEMBL...)
Show SMILES Cc1ccc(cc1)N1C(=O)N(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C16H14N2O2/c1-11-3-7-13(8-4-11)17-15(19)18(16(17)20)14-9-5-12(2)6-10-14/h3-10H,1-2H3
Affinity DataIC50: 2.40nMAssay Description:Compound was evaluated for its inhibitory activity against bovine pancreatic alpha-chymotrypsinMore data for this Ligand-Target Pair
TargetChymase(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101132(1,3-Dibenzyl-[1,3]diazetidine-2,4-dione | CHEMBL47...)
Show SMILES O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C16H14N2O2/c19-15-17(11-13-7-3-1-4-8-13)16(20)18(15)12-14-9-5-2-6-10-14/h1-10H,11-12H2
Affinity DataIC50: 4nMAssay Description:Compound was evaluated for its inhibitory activity against human Serine protease chymaseMore data for this Ligand-Target Pair
TargetSerine protease 1(Bos taurus (bovine))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101132(1,3-Dibenzyl-[1,3]diazetidine-2,4-dione | CHEMBL47...)
Show SMILES O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C16H14N2O2/c19-15-17(11-13-7-3-1-4-8-13)16(20)18(15)12-14-9-5-2-6-10-14/h1-10H,11-12H2
Affinity DataIC50: 39nMAssay Description:Compound was evaluated for its inhibitory activity against bovine pancreatic trypsinMore data for this Ligand-Target Pair
TargetChymase(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101134(1,3-Bis-benzo[1,3]dioxol-5-yl-[1,3]diazetidine-2,4...)
Show SMILES O=C1N(C(=O)N1c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C16H10N2O6/c19-15-17(9-1-3-11-13(5-9)23-7-21-11)16(20)18(15)10-2-4-12-14(6-10)24-8-22-12/h1-6H,7-8H2
Affinity DataIC50: 48nMAssay Description:Compound was evaluated for its inhibitory activity against human Serine protease chymaseMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101133(1,3-Diethyl-[1,3]diazetidine-2,4-dione | CHEMBL298...)
Show SMILES CCN1C(=O)N(CC)C1=O
Show InChI InChI=1S/C6H10N2O2/c1-3-7-5(9)8(4-2)6(7)10/h3-4H2,1-2H3
Affinity DataIC50: 58nMAssay Description:Compound was evaluated for its inhibitory activity against human neutrophil elastaseMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101132(1,3-Dibenzyl-[1,3]diazetidine-2,4-dione | CHEMBL47...)
Show SMILES O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C16H14N2O2/c19-15-17(11-13-7-3-1-4-8-13)16(20)18(15)12-14-9-5-2-6-10-14/h1-10H,11-12H2
Affinity DataIC50: 72nMAssay Description:Compound was evaluated for its inhibitory activity against human thrombinMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101132(1,3-Dibenzyl-[1,3]diazetidine-2,4-dione | CHEMBL47...)
Show SMILES O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C16H14N2O2/c19-15-17(11-13-7-3-1-4-8-13)16(20)18(15)12-14-9-5-2-6-10-14/h1-10H,11-12H2
Affinity DataIC50: 100nMAssay Description:Compound was evaluated for its inhibitory activity against human neutrophil elastaseMore data for this Ligand-Target Pair
TargetChymase(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101131(1,3-Di-p-tolyl-[1,3]diazetidine-2,4-dione | CHEMBL...)
Show SMILES Cc1ccc(cc1)N1C(=O)N(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C16H14N2O2/c1-11-3-7-13(8-4-11)17-15(19)18(16(17)20)14-9-5-12(2)6-10-14/h3-10H,1-2H3
Affinity DataIC50: 140nMAssay Description:Compound was evaluated for its inhibitory activity against human Serine protease chymaseMore data for this Ligand-Target Pair
TargetSerine protease 1(Bos taurus (bovine))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101131(1,3-Di-p-tolyl-[1,3]diazetidine-2,4-dione | CHEMBL...)
Show SMILES Cc1ccc(cc1)N1C(=O)N(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C16H14N2O2/c1-11-3-7-13(8-4-11)17-15(19)18(16(17)20)14-9-5-12(2)6-10-14/h3-10H,1-2H3
Affinity DataIC50: 200nMAssay Description:Compound was evaluated for its inhibitory activity against bovine pancreatic trypsinMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101131(1,3-Di-p-tolyl-[1,3]diazetidine-2,4-dione | CHEMBL...)
Show SMILES Cc1ccc(cc1)N1C(=O)N(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C16H14N2O2/c1-11-3-7-13(8-4-11)17-15(19)18(16(17)20)14-9-5-12(2)6-10-14/h3-10H,1-2H3
Affinity DataIC50: 230nMAssay Description:Compound was evaluated for its inhibitory activity against human neutrophil elastaseMore data for this Ligand-Target Pair
TargetCathepsin G(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101133(1,3-Diethyl-[1,3]diazetidine-2,4-dione | CHEMBL298...)
Show SMILES CCN1C(=O)N(CC)C1=O
Show InChI InChI=1S/C6H10N2O2/c1-3-7-5(9)8(4-2)6(7)10/h3-4H2,1-2H3
Affinity DataIC50: 740nMAssay Description:Compound was evaluated for its inhibitory activity against human cathepsin GMore data for this Ligand-Target Pair
TargetChymotrypsin-C(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101133(1,3-Diethyl-[1,3]diazetidine-2,4-dione | CHEMBL298...)
Show SMILES CCN1C(=O)N(CC)C1=O
Show InChI InChI=1S/C6H10N2O2/c1-3-7-5(9)8(4-2)6(7)10/h3-4H2,1-2H3
Affinity DataIC50: 740nMAssay Description:Compound was evaluated for its inhibitory activity against bovine pancreatic alpha-chymotrypsinMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101131(1,3-Di-p-tolyl-[1,3]diazetidine-2,4-dione | CHEMBL...)
Show SMILES Cc1ccc(cc1)N1C(=O)N(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C16H14N2O2/c1-11-3-7-13(8-4-11)17-15(19)18(16(17)20)14-9-5-12(2)6-10-14/h3-10H,1-2H3
Affinity DataIC50: 2.30E+3nMAssay Description:Compound was evaluated for its inhibitory activity against human thrombinMore data for this Ligand-Target Pair
TargetPlasminogen(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101132(1,3-Dibenzyl-[1,3]diazetidine-2,4-dione | CHEMBL47...)
Show SMILES O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C16H14N2O2/c19-15-17(11-13-7-3-1-4-8-13)16(20)18(15)12-14-9-5-2-6-10-14/h1-10H,11-12H2
Affinity DataIC50: 2.90E+3nMAssay Description:Compound was evaluated for its inhibitory activity against human plasminMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101133(1,3-Diethyl-[1,3]diazetidine-2,4-dione | CHEMBL298...)
Show SMILES CCN1C(=O)N(CC)C1=O
Show InChI InChI=1S/C6H10N2O2/c1-3-7-5(9)8(4-2)6(7)10/h3-4H2,1-2H3
Affinity DataIC50: 5.60E+3nMAssay Description:Compound was evaluated for its inhibitory activity against human thrombinMore data for this Ligand-Target Pair
TargetPlasminogen(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101133(1,3-Diethyl-[1,3]diazetidine-2,4-dione | CHEMBL298...)
Show SMILES CCN1C(=O)N(CC)C1=O
Show InChI InChI=1S/C6H10N2O2/c1-3-7-5(9)8(4-2)6(7)10/h3-4H2,1-2H3
Affinity DataIC50: 1.00E+4nMAssay Description:Compound was evaluated for its inhibitory activity against human plasminMore data for this Ligand-Target Pair
TargetSerine protease 1(Bos taurus (bovine))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50101133(1,3-Diethyl-[1,3]diazetidine-2,4-dione | CHEMBL298...)
Show SMILES CCN1C(=O)N(CC)C1=O
Show InChI InChI=1S/C6H10N2O2/c1-3-7-5(9)8(4-2)6(7)10/h3-4H2,1-2H3
Affinity DataIC50: 3.90E+4nMAssay Description:Compound was evaluated for its inhibitory activity against bovine pancreatic trypsinMore data for this Ligand-Target Pair