Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50249858'   

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))	BDBM50249858 (12-(Dimethylamino)-2,3,6,7-tetrahydro-9-(N-morphol...) Show SMILES C[N+](C)=c1ccc2c(-c3ccc(s3)C(=S)N3CCOCC3)c3cc4CCCN5CCCc(c45)c3[se]c2c1 |(17.11,-53.24,;17.1,-51.7,;18.43,-50.93,;15.76,-50.94,;15.75,-49.37,;14.4,-48.61,;13.06,-49.39,;11.71,-48.62,;11.7,-47.08,;10.45,-46.18,;10.91,-44.71,;12.46,-44.7,;12.94,-46.17,;13.35,-43.45,;12.71,-42.05,;14.88,-43.6,;15.5,-45,;17.01,-45.15,;17.91,-43.91,;17.28,-42.52,;15.76,-42.36,;10.37,-49.41,;9.03,-48.64,;7.7,-49.42,;6.37,-48.65,;5.04,-49.41,;5.04,-50.95,;6.37,-51.73,;6.37,-53.27,;7.7,-54.04,;9.03,-53.27,;9.04,-51.73,;7.7,-50.96,;10.38,-50.96,;11.72,-51.73,;13.06,-50.96,;14.42,-51.73,)| Show InChI InChI=1S/C30H32N3OS2Se/c1-31(2)20-7-8-21-26(18-20)37-29-22-6-4-12-32-11-3-5-19(28(22)32)17-23(29)27(21)24-9-10-25(36-24)30(35)33-13-15-34-16-14-33/h7-10,17-18H,3-6,11-16H2,1-2H3/q+1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in MDCK2 cells assessed as enhancement of Calcein-AM uptake treated 30 mins before Calcein-AM challenge measured a...				J Med Chem 52: 3328-41 (2009) Article DOI: 10.1021/jm900253g BindingDB Entry DOI: 10.7270/Q29Z94SF
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