Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thromboxane-A synthase' and Ligand = 'BDBM50026499'   

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))	BDBM50026499 (2-Phenyl-7-pyridin-3-yl-7-thiophen-2-yl-hept-6-eno...) Show SMILES OC(=O)C(CCC\C=C(/c1cccs1)c1cccnc1)c1ccccc1 Show InChI InChI=1S/C22H21NO2S/c24-22(25)20(17-8-2-1-3-9-17)12-5-4-11-19(21-13-7-15-26-21)18-10-6-14-23-16-18/h1-3,6-11,13-16,20H,4-5,12H2,(H,24,25)/b19-11-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes				J Med Chem 28: 287-94 (1985) BindingDB Entry DOI: 10.7270/Q2P26ZPB
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