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 = 'BDBM927'   

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)	BDBM927 (5PhBuCOOH deriv. | Statine deriv. 7 | Tle-Val-Sta ...) Show SMILES CC(C)[C@H](NC(=O)[C@H](SCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C43H52N4O6S/c1-29(2)36(40(49)44-26-32-19-11-6-12-20-32)46-42(51)39(54-28-34-23-15-8-16-24-34)38(48)35(25-31-17-9-5-10-18-31)45-41(50)37(30(3)4)47-43(52)53-27-33-21-13-7-14-22-33/h5-24,29-30,35-39,48H,25-28H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t35-,36-,37-,38+,39+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	-47.5	n/a	n/a	n/a	n/a	n/a	6.25	37
SANDOZ Forschungsinstitut Ges.m.b.H.					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 37: 3079-89 (1994) Article DOI: 10.1021/jm00045a013 BindingDB Entry DOI: 10.7270/Q21J97XV
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