Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Multidrug resistance-associated protein 1' and Ligand = 'BDBM50515960'   

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))	BDBM50515960 (CHEMBL4564520) Show SMILES COc1cc(\C=C\C(=O)OC[C@@H](C)CN(C)CCCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC |r| Show InChI InChI=1S/C32H45NO10/c1-22(21-43-29(34)13-12-23-16-25(36-3)30(40-7)26(17-23)37-4)20-33(2)14-10-9-11-15-42-32(35)24-18-27(38-5)31(41-8)28(19-24)39-6/h12-13,16-19,22H,9-11,14-15,20-21H2,1-8H3/b13-12+/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MRP1 (unknown origin) expressed in MDCK cells assessed as increase in calcein-AM accumulation incubated for 30 mins by calcein-AM dye b...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111655 BindingDB Entry DOI: 10.7270/Q2ZW1Q9C
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