Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [1148-1435]' and Ligand = 'BDBM28253'   

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 [1148-1435] (Human immunodeficiency virus type 1)	BDBM28253 (1,3,4-oxadiazole substituted naphthyridine, 20 | 1...) Show SMILES Oc1c(nc(N2CCCNC2=O)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1 Show InChI InChI=1S/C21H17FN6O3/c22-13-6-4-12(5-7-13)11-15-26-27-20(31-15)17-18(29)16-14(3-1-8-23-16)19(25-17)28-10-2-9-24-21(28)30/h1,3-8,29H,2,9-11H2,(H,24,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.2	37
GSK					Assay Description Purified recombinant integrase was first combined in a complex with biotinylated donor DNA- streptavidin-coated SPA beads. The complex was preincubat...				Bioorg Med Chem Lett 19: 1807-10 (2009) Article DOI: 10.1016/j.bmcl.2009.01.089 BindingDB Entry DOI: 10.7270/Q2TH8K1R
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