Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [600-1027,K702N,Y780C]/[600-1155,K702N,Y780C]' and Ligand = 'BDBM2058'   

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 [600-1027,K702N,Y780C]/[600-1155,K702N,Y780C] (Human immunodeficiency virus type 1)	BDBM2058 (2,8-disubstituted dipyridodiazepinone 41 | 2-Chlor...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccncc3)cnc12 Show InChI InChI=1S/C20H18ClN5OS/c1-3-26-18-15(20(27)25(2)16-4-5-17(21)24-19(16)26)10-13(11-23-18)12-28-14-6-8-22-9-7-14/h4-11H,3,12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	7.4	37
Boehringer Ingelheim (Canada) Ltd.					Assay Description IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe...				Bioorg Med Chem Lett 14: 739-42 (2004) Article DOI: 10.1016/j.bmcl.2003.11.049 BindingDB Entry DOI: 10.7270/Q2C53J2D
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