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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 = 'BDBM498'   
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)		BDBM498
PNG
((Hydroxyethyl)urea Isostere deriv. 26 | benzyl N-[...)
Show SMILES CCCCNC(=O)N(CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H45N5O6/c1-4-5-16-33-30(40)36(19-22(2)3)20-27(37)25(17-23-12-8-6-9-13-23)34-29(39)26(18-28(32)38)35-31(41)42-21-24-14-10-7-11-15-24/h6-15,22,25-27,37H,4-5,16-21H2,1-3H3,(H2,32,38)(H,33,40)(H,34,39)(H,35,41)/t25-,26-,27-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a6.425



Monsanto Corporate Research



Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...

J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair