Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50207919'   

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))	BDBM50207919 (1-(4,5-dichloro-2-(2-hydroxy-3-(4-o-tolylpiperazin...) Show SMILES Cc1ccccc1N1CCN(CC(O)COc2cc(Cl)c(Cl)cc2C(=O)CCc2ccccc2)CC1 Show InChI InChI=1S/C29H32Cl2N2O3/c1-21-7-5-6-10-27(21)33-15-13-32(14-16-33)19-23(34)20-36-29-18-26(31)25(30)17-24(29)28(35)12-11-22-8-3-2-4-9-22/h2-10,17-18,23,34H,11-16,19-20H2,1H3	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	17	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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