Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50275947'   

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))	BDBM50275947 ((5S,14R,19S,28R)-10,23-dimethoxy-4,4,29,29-tetrame...) Show SMILES COc1ccc2[C@H]3[C@@H](COc2c1)C(C)(C)OC1=C3C(=O)C(=O)C2=C1OC(C)(C)[C@H]1COc3cc(OC)ccc3[C@@H]21 |r,c:18,25| Show InChI InChI=1S/C32H32O8/c1-31(2)19-13-37-21-11-15(35-5)7-9-17(21)23(19)25-27(33)28(34)26-24-18-10-8-16(36-6)12-22(18)38-14-20(24)32(3,4)40-30(26)29(25)39-31/h7-12,19-20,23-24H,13-14H2,1-6H3/t19-,20+,23+,24-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Orgánica Antonio González Curated by ChEMBL					Assay Description Inhibition of human MDR1 overexpressed in mouse NIH/3T3 cells assessed as daunorubicin accumulation by flow cytometry				J Med Chem 51: 7132-43 (2009) Article DOI: 10.1021/jm800403b BindingDB Entry DOI: 10.7270/Q2TB16R7
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