Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50410914'   

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))	BDBM50410914 (CHEMBL209247) Show SMILES COc1ccc(CCN(C)CC#CCN2C(=O)C3C(C4c5ccccc5C3c3ccccc43)C2=O)cc1OC |TLB:21:20:32.27:18.17,31:32:25.20:18.17,THB:15:17:25.20:32.27,24:25:32.27:18.17,33:18:25.20:32.27,(8.03,6.81,;6.77,6.47,;6.43,5.21,;5.17,4.87,;4.84,3.61,;5.76,2.7,;5.42,1.44,;4.16,1.11,;3.82,-.15,;4.74,-1.08,;2.56,-.49,;1.64,.44,;.72,1.36,;-.2,2.3,;-1.48,1.98,;-1.97,.75,;-.7,1.1,;-3.28,.84,;-3.61,2.11,;-3.92,.32,;-5.63,-.17,;-6.97,.59,;-8.3,-.18,;-8.3,-1.73,;-6.96,-2.5,;-5.61,-1.72,;-3.83,-1.22,;-2.42,-2.11,;-1.01,-2.8,;.29,-1.93,;.18,-.36,;-1.22,.33,;-2.52,-.54,;-2.49,2.82,;-2.41,4.13,;7.02,3.03,;7.36,4.29,;8.61,4.62,;9.53,3.7,)| Show InChI InChI=1S/C33H32N2O4/c1-34(19-16-21-14-15-26(38-2)27(20-21)39-3)17-8-9-18-35-32(36)30-28-22-10-4-5-11-23(22)29(31(30)33(35)37)25-13-7-6-12-24(25)28/h4-7,10-15,20,28-31H,16-19H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human MDR1 transfected mouse L5178Y cell line				J Med Chem 49: 3049-51 (2006) Article DOI: 10.1021/jm060056p BindingDB Entry DOI: 10.7270/Q2CC11W8
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