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 = 'BDBM9620'   

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)	BDBM9620 ((S)-N-(1S,2R)-[3-[2-[[(1,1-Dimethylethyl)amino]car...) Show SMILES CC(=O)N[C@H](CS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C36H41N3O6S/c1-24(40)37-32(23-46(44,45)29-19-18-26-14-8-9-15-27(26)21-29)35(43)38-31(20-25-12-6-5-7-13-25)33(41)22-28-16-10-11-17-30(28)34(42)39-36(2,3)4/h5-19,21,31-33,41H,20,22-23H2,1-4H3,(H,37,40)(H,38,43)(H,39,42)/t31-,32+,33+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	5.5	37
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				J Med Chem 39: 96-108 (1996) Article DOI: 10.1021/jm950576c BindingDB Entry DOI: 10.7270/Q23R0R3K
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