Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Multidrug resistance-associated protein 1' and Ligand = 'BDBM45049'   

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))	BDBM45049 (4-[(2E)-2-[5-oxidanylidene-3-phenyl-1-(4-phenyl-1,...) Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1c([nH]n(-c2nc(cs2)-c2ccccc2)c1=O)-c1ccccc1 |w:11.12| Show InChI InChI=1S/C24H18N6O3S2/c25-35(32,33)19-13-11-18(12-14-19)27-28-22-21(17-9-5-2-6-10-17)29-30(23(22)31)24-26-20(15-34-24)16-7-3-1-4-8-16/h1-15,29H,(H2,25,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	<195	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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