Compile Data Set for Download or QSAR
Found 15 Enz. Inhib. hit(s) with all data for entry = 50005974
TargetThromboxane-A synthase(Rattus norvegicus)
Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50017896((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...)
Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
Affinity DataIC50: 200nMAssay Description:Tested in vitro against TXA2 synthetase inhibitory activity in rat plateletMore data for this Ligand-Target Pair
TargetThromboxane-A synthase(Rattus norvegicus)
Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50017896((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...)
Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
Affinity DataIC50: 200nMAssay Description:Tested in vitro against TXA2 synthetase inhibitory activity in rat whole bloodMore data for this Ligand-Target Pair
TargetThromboxane-A synthase(Homo sapiens (Human))
Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50017896((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...)
Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
Affinity DataIC50: 300nMAssay Description:Tested in vitro against TXA2 synthetase inhibitory activity in human plateletMore data for this Ligand-Target Pair
TargetThromboxane-A synthase(Rattus norvegicus)
Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50043282(2-Methyl-4-thiazol-5-yl-2H-phthalazin-1-one | CHEM...)
Show SMILES Cn1nc(-c2cncs2)c2ccccc2c1=O
Show InChI InChI=1S/C12H9N3OS/c1-15-12(16)9-5-3-2-4-8(9)11(14-15)10-6-13-7-17-10/h2-7H,1H3
Affinity DataIC50: 300nMAssay Description:Tested in vitro against TXA2 synthetase inhibitory activity in rat plateletMore data for this Ligand-Target Pair
TargetThromboxane-A synthase(Homo sapiens (Human))
Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50017896((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...)
Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
Affinity DataIC50: 300nMAssay Description:Tested in vitro against TXA2 synthetase inhibitory activity in human plateletMore data for this Ligand-Target Pair
TargetThromboxane-A synthase(Homo sapiens (Human))
Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50043282(2-Methyl-4-thiazol-5-yl-2H-phthalazin-1-one | CHEM...)
Show SMILES Cn1nc(-c2cncs2)c2ccccc2c1=O
Show InChI InChI=1S/C12H9N3OS/c1-15-12(16)9-5-3-2-4-8(9)11(14-15)10-6-13-7-17-10/h2-7H,1H3
Affinity DataIC50: 500nMAssay Description:Tested in vitro against TXA2 synthetase inhibitory activity in human plateletMore data for this Ligand-Target Pair
TargetThromboxane-A synthase(Homo sapiens (Human))
Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50017896((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...)
Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
Affinity DataIC50: 900nMAssay Description:Tested in vitro against TXA2 synthetase inhibitory activity in human whole bloodMore data for this Ligand-Target Pair
TargetThromboxane-A synthase(Rattus norvegicus)
Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50043283(2-Ethyl-4-pyridin-3-yl-2H-phthalazin-1-one | CHEMB...)
Show SMILES CCn1nc(-c2cccnc2)c2ccccc2c1=O
Show InChI InChI=1S/C15H13N3O/c1-2-18-15(19)13-8-4-3-7-12(13)14(17-18)11-6-5-9-16-10-11/h3-10H,2H2,1H3
Affinity DataIC50: 1.30E+3nMAssay Description:Tested in vitro against TXA2 synthetase inhibitory activity in rat plateletMore data for this Ligand-Target Pair
TargetThromboxane-A synthase(Homo sapiens (Human))
Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50043283(2-Ethyl-4-pyridin-3-yl-2H-phthalazin-1-one | CHEMB...)
Show SMILES CCn1nc(-c2cccnc2)c2ccccc2c1=O
Show InChI InChI=1S/C15H13N3O/c1-2-18-15(19)13-8-4-3-7-12(13)14(17-18)11-6-5-9-16-10-11/h3-10H,2H2,1H3
Affinity DataIC50: 1.60E+3nMAssay Description:Tested in vitro against TXA2 synthetase inhibitory activity in human microsomeMore data for this Ligand-Target Pair
TargetThromboxane-A synthase(Homo sapiens (Human))
Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50043283(2-Ethyl-4-pyridin-3-yl-2H-phthalazin-1-one | CHEMB...)
Show SMILES CCn1nc(-c2cccnc2)c2ccccc2c1=O
Show InChI InChI=1S/C15H13N3O/c1-2-18-15(19)13-8-4-3-7-12(13)14(17-18)11-6-5-9-16-10-11/h3-10H,2H2,1H3
Affinity DataIC50: 1.60E+3nMAssay Description:Tested in vitro against TXA2 synthetase inhibitory activity in human microsomeMore data for this Ligand-Target Pair
TargetThromboxane-A synthase(Rattus norvegicus)
Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50043283(2-Ethyl-4-pyridin-3-yl-2H-phthalazin-1-one | CHEMB...)
Show SMILES CCn1nc(-c2cccnc2)c2ccccc2c1=O
Show InChI InChI=1S/C15H13N3O/c1-2-18-15(19)13-8-4-3-7-12(13)14(17-18)11-6-5-9-16-10-11/h3-10H,2H2,1H3
Affinity DataIC50: 1.70E+3nMAssay Description:Tested in vitro against TXA2 synthetase inhibitory activity in rat whole bloodMore data for this Ligand-Target Pair
TargetThromboxane-A synthase(Homo sapiens (Human))
Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50043283(2-Ethyl-4-pyridin-3-yl-2H-phthalazin-1-one | CHEMB...)
Show SMILES CCn1nc(-c2cccnc2)c2ccccc2c1=O
Show InChI InChI=1S/C15H13N3O/c1-2-18-15(19)13-8-4-3-7-12(13)14(17-18)11-6-5-9-16-10-11/h3-10H,2H2,1H3
Affinity DataIC50: 2.30E+3nMAssay Description:Tested in vitro against TXA2 synthetase inhibitory activity in human whole bloodMore data for this Ligand-Target Pair
TargetThromboxane-A synthase(Rattus norvegicus)
Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50043282(2-Methyl-4-thiazol-5-yl-2H-phthalazin-1-one | CHEM...)
Show SMILES Cn1nc(-c2cncs2)c2ccccc2c1=O
Show InChI InChI=1S/C12H9N3OS/c1-15-12(16)9-5-3-2-4-8(9)11(14-15)10-6-13-7-17-10/h2-7H,1H3
Affinity DataIC50: 3.30E+3nMAssay Description:Tested in vitro against TXA2 synthetase inhibitory activity in rat whole bloodMore data for this Ligand-Target Pair
TargetThromboxane-A synthase(Homo sapiens (Human))
Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50043282(2-Methyl-4-thiazol-5-yl-2H-phthalazin-1-one | CHEM...)
Show SMILES Cn1nc(-c2cncs2)c2ccccc2c1=O
Show InChI InChI=1S/C12H9N3OS/c1-15-12(16)9-5-3-2-4-8(9)11(14-15)10-6-13-7-17-10/h2-7H,1H3
Affinity DataIC50: 3.90E+3nMAssay Description:Tested in vitro against TXA2 synthetase inhibitory activity in human microsomeMore data for this Ligand-Target Pair
TargetThromboxane-A synthase(Homo sapiens (Human))
Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50043282(2-Methyl-4-thiazol-5-yl-2H-phthalazin-1-one | CHEM...)
Show SMILES Cn1nc(-c2cncs2)c2ccccc2c1=O
Show InChI InChI=1S/C12H9N3OS/c1-15-12(16)9-5-3-2-4-8(9)11(14-15)10-6-13-7-17-10/h2-7H,1H3
Affinity DataIC50: 8.70E+3nMAssay Description:Tested in vitro against TXA2 synthetase inhibitory activity in human whole bloodMore data for this Ligand-Target Pair