Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Multidrug resistance-associated protein 1' and Ligand = 'BDBM50324358'   

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))	BDBM50324358 (3-phenyl-4-(phenylsulfonyl)-1,2,5-oxadiazole 2-oxi...) Show SMILES [O-][n+]1onc(c1-c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C14H10N2O4S/c17-16-13(11-7-3-1-4-8-11)14(15-20-16)21(18,19)12-9-5-2-6-10-12/h1-10H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.65E+4	n/a	n/a	n/a	n/a
Universita degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation by fluorescence assay				J Med Chem 53: 5467-75 (2010) Article DOI: 10.1021/jm100066y BindingDB Entry DOI: 10.7270/Q2JH3MC8
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