Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Multidrug resistance-associated protein 1' and Ligand = 'BDBM44646'   

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))	BDBM44646 (4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)-2-pyrim...) Show SMILES CCOC(=O)N1CCN(CC1)c1nc(cc(n1)C(F)(F)F)-c1cccc(OC)c1 Show InChI InChI=1S/C19H21F3N4O3/c1-3-29-18(27)26-9-7-25(8-10-26)17-23-15(12-16(24-17)19(20,21)22)13-5-4-6-14(11-13)28-2/h4-6,11-12H,3,7-10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.02E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
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