Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thromboxane A2 receptor' and Ligand = 'BDBM50058027'   

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 A2 receptor (Homo sapiens (Human))	BDBM50058027 (CHEMBL29374) Show SMILES OC(=O)CCc1cccc2CC(CCc12)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H20ClNO4S/c20-15-5-8-17(9-6-15)26(24,25)21-16-7-10-18-13(4-11-19(22)23)2-1-3-14(18)12-16/h1-3,5-6,8-9,16,21H,4,7,10-12H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human TP receptor expressed in QBI-HEK 293A cells assessed as IP3 metabolite level after 1 hr by HTRF assay				Bioorg Med Chem Lett 24: 4171-5 (2014) Article DOI: 10.1016/j.bmcl.2014.07.047 BindingDB Entry DOI: 10.7270/Q2QF8VJ5
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