Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [600-1028,D666N,K669R,T814F,K818Q,C879S]/[600-1151,D666N,K669R,T814F,K818Q,C879S]'   

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 [600-1028,D666N,K669R,T814F,K818Q,C879S]/[600-1151,D666N,K669R,T814F,K818Q,C879S] (Human immunodeficiency virus type 1)	BDBM33953 (dihydroxy benzoyl naphthyl hydrazone (DHBNH)) Show SMILES COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description To assess the effect of inhibitors, RT RNH activity was measured using a FRET-based microplate fluorescence assay. Briefly, the RNA-DNA hybrid duplex...				ACS Chem Biol 1: 702-12 (2006) Article DOI: 10.1021/cb600303y BindingDB Entry DOI: 10.7270/Q2FF3QQC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [600-1028,D666N,K669R,T814F,K818Q,C879S]/[600-1151,D666N,K669R,T814F,K818Q,C879S] (Human immunodeficiency virus type 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description To assess the effect of inhibitors, RT RNH activity was measured using a FRET-based microplate fluorescence assay. Briefly, the RNA-DNA hybrid duplex...				ACS Chem Biol 1: 702-12 (2006) Article DOI: 10.1021/cb600303y BindingDB Entry DOI: 10.7270/Q2FF3QQC
					More data for this Ligand-Target Pair				3D Structure (crystal)