Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50135034'   

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))	BDBM50135034 (1-(3-(2-hydroxy-3-(piperidin-1-yl)propoxy)phenyl)-...) Show SMILES OC(COc1cccc(c1)C(=O)CCc1ccccc1)CN1CCCCC1 Show InChI InChI=1S/C23H29NO3/c25-21(17-24-14-5-2-6-15-24)18-27-22-11-7-10-20(16-22)23(26)13-12-19-8-3-1-4-9-19/h1,3-4,7-11,16,21,25H,2,5-6,12-15,17-18H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	424	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
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