Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50326929'   

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))	BDBM50326929 ((2S,4R)-tert-butyl 2-((S)-6-(benzyloxycarbonylamin...) Show SMILES CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)OC(=O)C1CCCCC1 |r| Show InChI InChI=1S/C35H53N3O9/c1-34(2,3)46-31(41)27(19-13-14-20-36-32(42)44-23-24-15-9-7-10-16-24)37-29(39)28-21-26(22-38(28)33(43)47-35(4,5)6)45-30(40)25-17-11-8-12-18-25/h7,9-10,15-16,25-28H,8,11-14,17-23H2,1-6H3,(H,36,42)(H,37,39)/t26-,27+,28+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 5086 CNRS Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH3T3 cells assessed as inhibition of drug efflux by flow cytometry				J Med Chem 53: 6720-9 (2010) Article DOI: 10.1021/jm100839w BindingDB Entry DOI: 10.7270/Q22N52GS
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