Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Multidrug resistance-associated protein 1' and Ligand = 'BDBM44619'   

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))	BDBM44619 ((3aR,6aS)-5'-fluoranyl-5-(4-fluorophenyl)-1-[(4-hy...) Show SMILES Oc1c2C(Cc3ccc(O)cc3)NC3(C(=O)Nc4ccc(F)cc34)c2c(O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C26H19F2N3O4/c27-14-3-6-16(7-4-14)31-23(33)21-20(11-13-1-8-17(32)9-2-13)30-26(22(21)24(31)34)18-12-15(28)5-10-19(18)29-25(26)35/h1-10,12,20,30,32-34H,11H2,(H,29,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.52E+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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