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 = 'BDBM1197'   

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)	BDBM1197 (2-Aminobenzyl-Substituted AHPPA deriv. 12 | tert-b...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r| Show InChI InChI=1S/C37H48N6O6/c1-23(2)31(34(45)39-22-30-40-27-14-10-11-15-28(27)41-30)43-35(46)32(38-21-25-16-18-26(48-6)19-17-25)33(44)29(20-24-12-8-7-9-13-24)42-36(47)49-37(3,4)5/h7-19,23,29,31-33,38,44H,20-22H2,1-6H3,(H,39,45)(H,40,41)(H,42,47)(H,43,46)/t29-,31-,32+,33+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.70	-48.2	510	n/a	n/a	n/a	n/a	6.25	37
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 2060-7 (1996) Article DOI: 10.1021/jm9508696 BindingDB Entry DOI: 10.7270/Q2VT1Q89
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