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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 = 'BDBM1230'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM1230
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 2 | benzyl N-[...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)C1CCCCC1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C35H50N4O6/c1-23(2)30(38-34(44)45-22-25-16-10-7-11-17-25)33(43)37-28(20-24-14-8-6-9-15-24)29(40)21-36-31(41)26-18-12-13-19-27(26)32(42)39-35(3,4)5/h6-11,14-17,23,26-30,40H,12-13,18-22H2,1-5H3,(H,36,41)(H,37,43)(H,38,44)(H,39,42)/t26?,27?,28-,29+,30-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 140n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...

J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair