Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Multidrug resistance-associated protein 1' and Ligand = 'BDBM50294037'   

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
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50294037 (2-(3-Cyclohexyl-3-methylthioureido)benzo[b]thiophe...) Show SMILES CN(C1CCCCC1)C(=S)Nc1sc2ccccc2c1C(O)=O Show InChI InChI=1S/C17H20N2O2S2/c1-19(11-7-3-2-4-8-11)17(22)18-15-14(16(20)21)12-9-5-6-10-13(12)23-15/h5-6,9-11H,2-4,7-8H2,1H3,(H,18,22)(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...				J Med Chem 52: 4586-95 (2009) Article DOI: 10.1021/jm900688v BindingDB Entry DOI: 10.7270/Q22V2G46
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