Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dimer of Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM1086'   

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
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1086 ((4R,5R,6R)-4-benzyl-5-hydroxy-6-(2-phenylethyl)-1,...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C19H22N2O2/c22-18-16(12-11-14-7-3-1-4-8-14)20-19(23)21-17(18)13-15-9-5-2-6-10-15/h1-10,16-18,22H,11-13H2,(H2,20,21,23)/t16-,17-,18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	970	-35.7	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 40: 1707-9 (1997) Article DOI: 10.1021/jm970081i BindingDB Entry DOI: 10.7270/Q2CR5RHB
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