Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with Target = 'Thromboxane-A synthase' and Ligand = 'BDBM7962'   

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))	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of thromboxane synthase from human platelets.				J Med Chem 29: 1637-43 (1986) BindingDB Entry DOI: 10.7270/Q2WQ02S2
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of TXA2 synthetase from human platelets				J Med Chem 29: 342-6 (1986) BindingDB Entry DOI: 10.7270/Q2W66JSZ
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thromboxane TXA2 synthetase from human platelets				J Med Chem 29: 1643-50 (1986) BindingDB Entry DOI: 10.7270/Q2C8289W
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against thromboxane A2 synthetase				J Med Chem 28: 1427-32 (1985) BindingDB Entry DOI: 10.7270/Q2DJ5DN7
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human thromboxane synthetase				J Med Chem 24: 1139-48 (1982) BindingDB Entry DOI: 10.7270/Q2KK9CB6
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibition of Thromboxane synthase using [14C]-arachidonic acid as radioligand				J Med Chem 34: 1790-7 (1991) BindingDB Entry DOI: 10.7270/Q2BR8R47
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human microsomal thromboxane synthase.				J Med Chem 38: 1608-28 (1995) BindingDB Entry DOI: 10.7270/Q2319TWW
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of thromboxane A2 synthetase				J Med Chem 32: 1265-72 (1989) BindingDB Entry DOI: 10.7270/Q2FF3RBV
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of platelet microsomal thromboxane A2 synthetase in rabbits				J Med Chem 32: 1265-72 (1989) BindingDB Entry DOI: 10.7270/Q2FF3RBV
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Division of American Cyanamid Company Curated by ChEMBL					Assay Description Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats				J Med Chem 30: 2277-83 (1988) BindingDB Entry DOI: 10.7270/Q23T9HT6
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity of the compound to inhibit Inophore-induced arachidonic acid metabolism (inhibition of TXB2 formation) in rat				J Med Chem 32: 1842-60 (1989) BindingDB Entry DOI: 10.7270/Q28W3C8B
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of platelet microsomal thromboxane A synthetase in humans				J Med Chem 32: 1265-72 (1989) BindingDB Entry DOI: 10.7270/Q2FF3RBV
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat des Saarlandes					Assay Description Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Inhibition of thromboxane synthase P450 TXA2				J Med Chem 43: 4437-45 (2000) BindingDB Entry DOI: 10.7270/Q25H7FH3
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Farmitalia Carlo Erba Curated by ChEMBL					Assay Description In vitro inhibition of thromboxane B2 production in rat whole blood.				J Med Chem 36: 2964-72 (1993) BindingDB Entry DOI: 10.7270/Q22R3S9H
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibitory activity against intact human platelet TXA2 formation				J Med Chem 30: 1588-95 (1987) BindingDB Entry DOI: 10.7270/Q20R9NDV
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Inhibition of Thromboxane B2 formation in collagen-stimulated human platelets in platelet rich plasma.				J Med Chem 30: 1812-8 (1987) BindingDB Entry DOI: 10.7270/Q2ZP454K
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thromboxane formation at a concentration of 10e -6 M.				J Med Chem 30: 1036-40 (1987) BindingDB Entry DOI: 10.7270/Q24F1PRV
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against thromboxane synthetase				J Med Chem 29: 523-30 (1986) BindingDB Entry DOI: 10.7270/Q27W6B6V
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibition of thromboxane formation (thromboxane synthetase) in platelets at a concentration of 10e-4 M				J Med Chem 29: 816-9 (1986) BindingDB Entry DOI: 10.7270/Q2H70GCD
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research UK Curated by ChEMBL					Assay Description Inhibition of Thromboxane A2 synthase after oral administration of 0.03 mmol/kg				J Med Chem 33: 646-52 (1990) BindingDB Entry DOI: 10.7270/Q25X29HP
					More data for this Ligand-Target Pair