Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM31057'   

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
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM31057 ((4E)-2-hydroxy-4-[3-(2-methoxyphenyl)-5H-[1,2,4]tr...) Show SMILES COc1ccccc1-c1nnc2SCC(=Nn12)c1ccc(O)c(O)c1 |c:15| Show InChI InChI=1S/C17H14N4O3S/c1-24-15-5-3-2-4-11(15)16-18-19-17-21(16)20-12(9-25-17)10-6-7-13(22)14(23)8-10/h2-8,22-23H,9H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	8.0	23
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2H70D5W
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