Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Multidrug resistance-associated protein 1' and Ligand = 'BDBM50429198'   

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))	BDBM50429198 (CHEMBL2338110) Show SMILES COc1ccc2cc(ccc2c1)-c1nc(CN2CCc3cc(OC)c(OC)cc3C2)co1 Show InChI InChI=1S/C26H26N2O4/c1-29-23-7-6-17-10-20(5-4-18(17)11-23)26-27-22(16-32-26)15-28-9-8-19-12-24(30-2)25(31-3)13-21(19)14-28/h4-7,10-13,16H,8-9,14-15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Activity at MRP1 (unknown origin) expressed in MDCK cells assessed as interference calcein-AM efflux incubated for 30 mins prior to calcein-Am additi...				Bioorg Med Chem 21: 1324-32 (2013) Article DOI: 10.1016/j.bmc.2012.12.021 BindingDB Entry DOI: 10.7270/Q2HH6MDJ
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