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 = 'BDBM3400'   

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)	BDBM3400 (2-Butanol deriv. 7 | 2-[3-[[2-(tert-Butylcarbamoyl...) Show SMILES CC(C)(C)NC(=O)c1ccccc1NCC(O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C Show InChI InChI=1S/C29H37N3O3/c1-28(2,3)31-26(34)23-13-9-10-14-24(23)30-18-21(33)17-20-16-15-19-11-7-8-12-22(19)25(20)27(35)32-29(4,5)6/h7-16,21,30,33H,17-18H2,1-6H3,(H,31,34)(H,32,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...				J Med Chem 39: 2781-94 (1996) Article DOI: 10.1021/jm960093o BindingDB Entry DOI: 10.7270/Q2K072F6
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