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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 = 'BDBM527'   
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)		BDBM527
PNG
(1,1-dioxo--thietan-3-yl N-[(2S,3R)-4-[(3S,4aS,8aS)...)
Show SMILES [H][C@]12CCCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CS(=O)(=O)C1)C2)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H43N3O6S/c1-28(2,3)30-26(33)24-14-20-11-7-8-12-21(20)15-31(24)16-25(32)23(13-19-9-5-4-6-10-19)29-27(34)37-22-17-38(35,36)18-22/h4-6,9-10,20-25,32H,7-8,11-18H2,1-3H3,(H,29,34)(H,30,33)/t20-,21+,23-,24-,25+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 104n/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