Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Multidrug resistance-associated protein 1' and Ligand = 'BDBM50140875'   

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))	BDBM50140875 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) Show SMILES Cn1c2cccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12 Show InChI InChI=1S/C24H24F2N6O/c1-30-19-4-2-3-16(23(27)33)20(19)21-22(30)24(29-14-28-21)32-11-9-31(10-12-32)8-7-15-5-6-17(25)18(26)13-15/h2-6,13-14H,7-12H2,1H3,(H2,27,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	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))	BDBM50140875 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) Show SMILES Cn1c2cccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12 Show InChI InChI=1S/C24H24F2N6O/c1-30-19-4-2-3-16(23(27)33)20(19)21-22(30)24(29-14-28-21)32-11-9-31(10-12-32)8-7-15-5-6-17(25)18(26)13-15/h2-6,13-14H,7-12H2,1H3,(H2,27,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	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
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50140875 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) Show SMILES Cn1c2cccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12 Show InChI InChI=1S/C24H24F2N6O/c1-30-19-4-2-3-16(23(27)33)20(19)21-22(30)24(29-14-28-21)32-11-9-31(10-12-32)8-7-15-5-6-17(25)18(26)13-15/h2-6,13-14H,7-12H2,1H3,(H2,27,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/a	n/a
M.D. University Curated by ChEMBL					Assay Description Inhibitory concentration against multidrug resistance associated protein 1				Bioorg Med Chem Lett 15: 4967-72 (2005) Article DOI: 10.1016/j.bmcl.2005.08.011 BindingDB Entry DOI: 10.7270/Q2X34X15
					More data for this Ligand-Target Pair