Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50480839'   

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
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50480839 (CHEMBL572801) Show SMILES Cc1sc2nc(SCC(=O)c3ccccc3)nc(N)c2c1C Show InChI InChI=1S/C16H15N3OS2/c1-9-10(2)22-15-13(9)14(17)18-16(19-15)21-8-12(20)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H2,17,18,19)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Modulation of P-gp overexpressed in human A2780 cells assessed as daunorubicin accumulation preincubated 15 mins prior to daunorubicin addition measu...				Bioorg Med Chem Lett 19: 6102-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.023 BindingDB Entry DOI: 10.7270/Q2GM8B44
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