Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Multidrug resistance-associated protein 1' and Ligand = 'BDBM50140846'   

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))	BDBM50140846 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) Show SMILES NC(=O)c1cccc2n(Cc3ccncc3)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1 Show InChI InChI=1S/C29H27F2N7O/c30-22-5-4-19(16-23(22)31)8-11-36-12-14-37(15-13-36)29-27-26(34-18-35-29)25-21(28(32)39)2-1-3-24(25)38(27)17-20-6-9-33-10-7-20/h1-7,9-10,16,18H,8,11-15,17H2,(H2,32,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay				J Med Chem 47: 1339-50 (2004) Article DOI: 10.1021/jm0310129 BindingDB Entry DOI: 10.7270/Q21Z43T3
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50140846 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) Show SMILES NC(=O)c1cccc2n(Cc3ccncc3)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1 Show InChI InChI=1S/C29H27F2N7O/c30-22-5-4-19(16-23(22)31)8-11-36-12-14-37(15-13-36)29-27-26(34-18-35-29)25-21(28(32)39)2-1-3-24(25)38(27)17-20-6-9-33-10-7-20/h1-7,9-10,16,18H,8,11-15,17H2,(H2,32,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in accumulation assay				J Med Chem 47: 1339-50 (2004) Article DOI: 10.1021/jm0310129 BindingDB Entry DOI: 10.7270/Q21Z43T3
					More data for this Ligand-Target Pair