Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50480854'   

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))	BDBM50480854 (CHEMBL583181) Show SMILES Nc1nc(SCCc2ccccc2)nc2sc3COCCc3c12 Show InChI InChI=1S/C17H17N3OS2/c18-15-14-12-6-8-21-10-13(12)23-16(14)20-17(19-15)22-9-7-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,18,19,20)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	560	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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