Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile salt export pump' and Ligand = 'BDBM50485604'   

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
Bile salt export pump (Rattus norvegicus)	BDBM50485604 (BOSENTAN M2) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1nc(nc(OCCO)c1Cc1ccccc1O)-c1ncccn1 Show InChI InChI=1S/C27H29N5O5S/c1-27(2,3)19-9-11-20(12-10-19)38(35,36)32-23-21(17-18-7-4-5-8-22(18)34)26(37-16-15-33)31-25(30-23)24-28-13-6-14-29-24/h4-14,33-34H,15-17H2,1-3H3,(H,30,31,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Taurocholate uptake in membrane vesicle from Bsep-expressing Sf9-cell				Clin Pharmacol Ther 69: 223-31 (2001) Article DOI: 10.1067/mcp.2001.114667 BindingDB Entry DOI: 10.7270/Q2QV3QCH
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