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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 = 'BDBM539'   
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)		BDBM539
PNG
((2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-...)
Show SMILES [H][C@]12CCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1C(C)C)C2)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C31H49N3O6S/c1-20(2)28-27(14-15-41(28,38)39)40-30(37)32-24(16-21-10-7-6-8-11-21)26(35)19-34-18-23-13-9-12-22(23)17-25(34)29(36)33-31(3,4)5/h6-8,10-11,20,22-28,35H,9,12-19H2,1-5H3,(H,32,37)(H,33,36)/t22-,23+,24-,25-,26+,27+,28+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3n/an/an/an/a5.530



Merck Research Laboratories



Assay Description
The IC50 values for the compounds were determined using purified HIV-1 Protease. Inhibition of the cleavage of the peptide H-Val-Ser-Gln-Asn-(L-beta-...

J Med Chem 37: 1177-88 (1994)


Article DOI: 10.1021/jm00034a016
BindingDB Entry DOI: 10.7270/Q2NG4NS1
More data for this
Ligand-Target Pair