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 = 'BDBM1274'   

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)	BDBM1274 (L-682, 679 analog 33 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCO |r| Show InChI InChI=1S/C32H47N3O6/c1-6-22(2)28(30(39)33-17-18-36)35-29(38)25(19-23-13-9-7-10-14-23)21-27(37)26(20-24-15-11-8-12-16-24)34-31(40)41-32(3,4)5/h7-16,22,25-28,36-37H,6,17-21H2,1-5H3,(H,33,39)(H,34,40)(H,35,38)/t22?,25-,26+,27+,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
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