Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Multidrug resistance-associated protein 1' and Ligand = 'BDBM50324361'   

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))	BDBM50324361 (3-methyl-4-(phenylsulfonyl)-1,2,5-oxadiazole 2-oxi...) Show SMILES Cc1c(no[n+]1[O-])S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C9H8N2O4S/c1-7-9(10-15-11(7)12)16(13,14)8-5-3-2-4-6-8/h2-6H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	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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