Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50029430   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50047491 (CHEMBL11811 | Sodium; (E)-2-methyl-3-(4-pyridin-3-...) Show SMILES C\C(=C/c1ccc(Cc2cccnc2)cc1)C([O-])=O Show InChI InChI=1S/C16H15NO2/c1-12(16(18)19)9-13-4-6-14(7-5-13)10-15-3-2-8-17-11-15/h2-9,11H,10H2,1H3,(H,18,19)/p-1/b12-9+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Thromboxane A2 synthase in human platelet microsome				Bioorg Med Chem Lett 5: 1087-1090 (1995) Article DOI: 10.1016/0960-894X(95)00171-O BindingDB Entry DOI: 10.7270/Q2XG9R3P
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50017896 ((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+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Thromboxane A2 synthase in human platelet microsome				Bioorg Med Chem Lett 5: 1087-1090 (1995) Article DOI: 10.1016/0960-894X(95)00171-O BindingDB Entry DOI: 10.7270/Q2XG9R3P
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50284384 ((6-{2-[(E)-Phenyl-pyridin-3-yl-methoxyimino]-propy...) Show SMILES C\C(CC1CCc2c(C1)cccc2OCC(O)=O)=N/OC(c1ccccc1)c1cccnc1 Show InChI InChI=1S/C27H28N2O4/c1-19(29-33-27(21-7-3-2-4-8-21)23-10-6-14-28-17-23)15-20-12-13-24-22(16-20)9-5-11-25(24)32-18-26(30)31/h2-11,14,17,20,27H,12-13,15-16,18H2,1H3,(H,30,31)/b29-19+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Thromboxane A2 synthase in human platelet microsome				Bioorg Med Chem Lett 5: 1087-1090 (1995) Article DOI: 10.1016/0960-894X(95)00171-O BindingDB Entry DOI: 10.7270/Q2XG9R3P
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50284382 ((5-{2-[1-Phenyl-1-pyridin-3-yl-meth-(E)-ylideneami...) Show SMILES OC(=O)COc1cccc2C(CCO\N=C(/c3ccccc3)c3cccnc3)CCCc12 Show InChI InChI=1S/C26H26N2O4/c29-25(30)18-31-24-13-5-11-22-19(9-4-12-23(22)24)14-16-32-28-26(20-7-2-1-3-8-20)21-10-6-15-27-17-21/h1-3,5-8,10-11,13,15,17,19H,4,9,12,14,16,18H2,(H,29,30)/b28-26+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Thromboxane A2 synthase in human platelet microsome				Bioorg Med Chem Lett 5: 1087-1090 (1995) Article DOI: 10.1016/0960-894X(95)00171-O BindingDB Entry DOI: 10.7270/Q2XG9R3P
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50284381 ((6-{2-[(E)-Phenyl-pyridin-3-yl-methoxyimino]-penty...) Show SMILES CCC\C(CC1CCc2c(C1)cccc2OCC(O)=O)=N/OC(c1ccccc1)c1cccnc1 Show InChI InChI=1S/C29H32N2O4/c1-2-8-25(31-35-29(22-9-4-3-5-10-22)24-12-7-16-30-19-24)18-21-14-15-26-23(17-21)11-6-13-27(26)34-20-28(32)33/h3-7,9-13,16,19,21,29H,2,8,14-15,17-18,20H2,1H3,(H,32,33)/b31-25+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Thromboxane A2 synthase in human platelet microsome				Bioorg Med Chem Lett 5: 1087-1090 (1995) Article DOI: 10.1016/0960-894X(95)00171-O BindingDB Entry DOI: 10.7270/Q2XG9R3P
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50284380 ((6-{2-[(E)-Phenyl-pyridin-4-yl-methoxyimino]-propy...) Show SMILES C\C(CC1CCc2c(C1)cccc2OCC(O)=O)=N/OC(c1ccccc1)c1ccncc1 Show InChI InChI=1S/C27H28N2O4/c1-19(29-33-27(21-6-3-2-4-7-21)22-12-14-28-15-13-22)16-20-10-11-24-23(17-20)8-5-9-25(24)32-18-26(30)31/h2-9,12-15,20,27H,10-11,16-18H2,1H3,(H,30,31)/b29-19+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Thromboxane A2 synthase in human platelet microsome				Bioorg Med Chem Lett 5: 1087-1090 (1995) Article DOI: 10.1016/0960-894X(95)00171-O BindingDB Entry DOI: 10.7270/Q2XG9R3P
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50284385 (CHEMBL11779 | {6-[4-(Phenyl-pyridin-3-yl-methyl)-p...) Show SMILES OC(=O)COc1cccc2CC(Cn3cc(cn3)C(c3ccccc3)c3cccnc3)CCc12 Show InChI InChI=1S/C28H27N3O3/c32-27(33)19-34-26-10-4-8-22-14-20(11-12-25(22)26)17-31-18-24(16-30-31)28(21-6-2-1-3-7-21)23-9-5-13-29-15-23/h1-10,13,15-16,18,20,28H,11-12,14,17,19H2,(H,32,33)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	3.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Thromboxane A2 synthase in human platelet microsome				Bioorg Med Chem Lett 5: 1087-1090 (1995) Article DOI: 10.1016/0960-894X(95)00171-O BindingDB Entry DOI: 10.7270/Q2XG9R3P
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50284383 (CHEMBL11407 | {5-[2-(N'-Phenyl-N'-pyridin-3-yl-hyd...) Show SMILES OC(=O)COc1cccc2C(CCC(=O)NN(c3ccccc3)c3cccnc3)CCCc12 Show InChI InChI=1S/C26H27N3O4/c30-25(28-29(20-8-2-1-3-9-20)21-10-6-16-27-17-21)15-14-19-7-4-12-23-22(19)11-5-13-24(23)33-18-26(31)32/h1-3,5-6,8-11,13,16-17,19H,4,7,12,14-15,18H2,(H,28,30)(H,31,32)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Thromboxane A2 synthase in human platelet microsome				Bioorg Med Chem Lett 5: 1087-1090 (1995) Article DOI: 10.1016/0960-894X(95)00171-O BindingDB Entry DOI: 10.7270/Q2XG9R3P
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50284379 ((6-{2-[(E)-Phenyl-pyridin-2-yl-methoxyimino]-propy...) Show SMILES C\C(CC1CCc2c(C1)cccc2OCC(O)=O)=N/OC(c1ccccc1)c1ccccn1 Show InChI InChI=1S/C27H28N2O4/c1-19(29-33-27(21-8-3-2-4-9-21)24-11-5-6-15-28-24)16-20-13-14-23-22(17-20)10-7-12-25(23)32-18-26(30)31/h2-12,15,20,27H,13-14,16-18H2,1H3,(H,30,31)/b29-19+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Thromboxane A2 synthase in human platelet microsome				Bioorg Med Chem Lett 5: 1087-1090 (1995) Article DOI: 10.1016/0960-894X(95)00171-O BindingDB Entry DOI: 10.7270/Q2XG9R3P
					More data for this Ligand-Target Pair