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 = 'BDBM1087'   

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)	BDBM1087 ((4R,5R,6R)-4-benzyl-1,3-bis(cyclopropylmethyl)-5-h...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(CC2CC2)C(=O)N(CC2CC2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C27H34N2O2/c30-26-24(16-15-20-7-3-1-4-8-20)28(18-22-11-12-22)27(31)29(19-23-13-14-23)25(26)17-21-9-5-2-6-10-21/h1-10,22-26,30H,11-19H2/t24-,25-,26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.80	-50.0	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
					More data for this Ligand-Target Pair