Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50304598'   

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))	BDBM50304598 (CHEMBL595511 | N-(3-benzoyl-4-(2-(4-methylpiperazi...) Show SMILES CC1CCN(CC1)C(=O)Nc1ccc(NC(=O)C(N2CCN(C)CC2)c2ccccc2)c(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C33H39N5O3/c1-24-15-17-38(18-16-24)33(41)34-27-13-14-29(28(23-27)31(39)26-11-7-4-8-12-26)35-32(40)30(25-9-5-3-6-10-25)37-21-19-36(2)20-22-37/h3-14,23-24,30H,15-22H2,1-2H3,(H,34,41)(H,35,40)	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	4.97E+3	n/a	n/a	n/a	n/a
Philipps-Universit£t Marburg Curated by ChEMBL					Assay Description Inhibition of ABCB1 overexpressed in human CCRF-CEM/VCR1000 cell assessed as inhibition of daunomycin efflux after 30 mins by FACS analysis				Bioorg Med Chem 17: 7690-7 (2009) Article DOI: 10.1016/j.bmc.2009.09.043 BindingDB Entry DOI: 10.7270/Q2319W02
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