Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Multidrug resistance-associated protein 1' and Ligand = 'BDBM50056306'   

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))	BDBM50056306 (CHEMBL3317930) Show SMILES Fc1cc(ccc1NC(=O)c1cccnc1)-c1cccnc1 Show InChI InChI=1S/C17H12FN3O/c18-15-9-12(13-3-1-7-19-10-13)5-6-16(15)21-17(22)14-4-2-8-20-11-14/h1-11H,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
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