Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50235424'   

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))	BDBM50235424 (CHEMBL3605260) Show SMILES [H][C@@]12C\C(=N/Nc3ccccc3)c3[nH]c4ccccc4c3C[C@]([H])(N(C)C[C@H]1CC)[C@@]2([H])C(=O)OC |r| Show InChI InChI=1S/C27H32N4O2/c1-4-17-16-31(2)24-15-21-19-12-8-9-13-22(19)28-26(21)23(14-20(17)25(24)27(32)33-3)30-29-18-10-6-5-7-11-18/h5-13,17,20,24-25,28-29H,4,14-16H2,1-3H3/b30-23+/t17-,20-,24+,25+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	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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