Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50268587'   

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))	BDBM50268587 (CHEMBL3356782) Show SMILES COc1cc2CCN(CCn3cc(COc4ccccc4NC(=O)c4ccc(cc4)C(C)(C)C)nn3)Cc2cc1OC Show InChI InChI=1S/C33H39N5O4/c1-33(2,3)26-12-10-23(11-13-26)32(39)34-28-8-6-7-9-29(28)42-22-27-21-38(36-35-27)17-16-37-15-14-24-18-30(40-4)31(41-5)19-25(24)20-37/h6-13,18-19,21H,14-17,20,22H2,1-5H3,(H,34,39)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Center of Drug Discovery, State Key Laboratory of Natural Medicines, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China. Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 5 uM measured after ...				Bioorg Med Chem 25: 4194-4202 (2017) Article DOI: 10.1016/j.bmc.2017.06.015 BindingDB Entry DOI: 10.7270/Q26H4KWV
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