Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50135007'   

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))	BDBM50135007 (1-(diisopropylamino)-3-(2-(1-methoxy-3-phenylpropy...) Show SMILES COC(CCc1ccccc1)c1ccccc1OCC(O)CN(C(C)C)C(C)C Show InChI InChI=1S/C25H37NO3/c1-19(2)26(20(3)4)17-22(27)18-29-25-14-10-9-13-23(25)24(28-5)16-15-21-11-7-6-8-12-21/h6-14,19-20,22,24,27H,15-18H2,1-5H3	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	658	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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