Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50235435'   

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))	BDBM50235435 (CHEMBL4062990) Show SMILES [H][C@]12C[C@H](OC(=O)\C=C\C)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@@H]2CC |r| Show InChI InChI=1S/C25H32N2O4/c1-5-9-22(28)31-21-13-17-15(6-2)14-27(3)20(23(17)25(29)30-4)12-18-16-10-7-8-11-19(16)26-24(18)21/h5,7-11,15,17,20-21,23,26H,6,12-14H2,1-4H3/b9-5+/t15-,17+,20-,21-,23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay				Eur J Med Chem 128: 247-257 (2017) Article DOI: 10.1016/j.ejmech.2017.01.044 BindingDB Entry DOI: 10.7270/Q2BV7JVT
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