Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [588-1027]/[588-1147]' and Ligand = 'BDBM3141'   

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 [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM3141 (2-pyridinone deriv. 47 | 5-ethyl-3-{[(2-methoxy-4-...) Show SMILES CCc1cc(NCc2ccc(C)cc2OC)c(=O)[nH]c1C Show InChI InChI=1S/C17H22N2O2/c1-5-13-9-15(17(20)19-12(13)3)18-10-14-7-6-11(2)8-16(14)21-4/h6-9,18H,5,10H2,1-4H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	8.2	n/a
Merck Research Laboratories					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 36: 249-55 (1993) Article DOI: 10.1021/jm00054a009 BindingDB Entry DOI: 10.7270/Q20863HM
					More data for this Ligand-Target Pair