Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Multidrug resistance-associated protein 1' and Ligand = 'BDBM50305082'   

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))	BDBM50305082 (CHEMBL594336 | N-(4-(2-(6,7-dimethoxy-3,4-dihydroi...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NC(=O)Nc4ccc(cc4)[N+]([O-])=O)cc3)Cc2cc1OC Show InChI InChI=1S/C33H33N5O6/c1-43-30-19-23-16-18-37(21-24(23)20-31(30)44-2)17-15-22-7-9-25(10-8-22)34-32(39)28-5-3-4-6-29(28)36-33(40)35-26-11-13-27(14-12-26)38(41)42/h3-14,19-20H,15-18,21H2,1-2H3,(H,34,39)(H2,35,36,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of MRP1 assessed as calcein AM accumulation by fluorescence assay				Bioorg Med Chem Lett 20: 180-3 (2010) Article DOI: 10.1016/j.bmcl.2009.11.004 BindingDB Entry DOI: 10.7270/Q2G73DT7
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