Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thromboxane-A synthase' and Ligand = 'BDBM50026549'   

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))	BDBM50026549 (2,2-Dimethyl-7-phenyl-7-pyridin-3-yl-hept-6-enoic ...) Show SMILES CC(C)(CCC\C=C(\c1ccccc1)c1cccnc1)C(O)=O Show InChI InChI=1S/C20H23NO2/c1-20(2,19(22)23)13-7-6-12-18(16-9-4-3-5-10-16)17-11-8-14-21-15-17/h3-5,8-12,14-15H,6-7,13H2,1-2H3,(H,22,23)/b18-12-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	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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