Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50390981'   

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))	BDBM50390981 (CHEMBL2074597) Show SMILES COC(=O)[C@H]1[C@H](CCC2CN3CCc4c([nH]c5ccccc45)C3CC12)OC(=O)c1cc(OC)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C31H36N2O7/c1-36-25-13-18(14-26(37-2)29(25)38-3)30(34)40-24-10-9-17-16-33-12-11-20-19-7-5-6-8-22(19)32-28(20)23(33)15-21(17)27(24)31(35)39-4/h5-8,13-14,17,21,23-24,27,32H,9-12,15-16H2,1-4H3/t17?,21?,23?,24-,27+/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of ATPase activity (Verapamil) in membranes from CEM/VLB100 cells				Biochem Pharmacol 56: 719-27 (1998) BindingDB Entry DOI: 10.7270/Q28K7B50
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