Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50515942'   

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))	BDBM50515942 (CHEMBL4452443) Show SMILES COc1cc(\C=C\C(=O)OC[C@H](C)CN(C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC |r| Show InChI InChI=1S/C30H41NO10/c1-20(19-41-27(32)11-10-21-14-23(34-3)28(38-7)24(15-21)35-4)18-31(2)12-9-13-40-30(33)22-16-25(36-5)29(39-8)26(17-22)37-6/h10-11,14-17,20H,9,12-13,18-19H2,1-8H3/b11-10+/t20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	710	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of P-gp (unknown origin) expressed in MDCK-MDR1 cells assessed as increase in calcein-AM accumulation incubated for 30 mins by calcein-AM ...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111655 BindingDB Entry DOI: 10.7270/Q2ZW1Q9C
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