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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 [501-599,Q508K,L534I,L564I,C568A,C596A]' and Ligand = 'BDBM35958'   
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 [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)		BDBM35958
PNG
(acyclic compound, 13c)
Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CCCCC=C)S(=O)(=O)c1ccc(OC)cc1OCCC=C |r|
Show InChI InChI=1S/C34H46N2O9S/c1-4-6-8-12-18-36(46(39,40)32-16-15-26(41-3)22-30(32)42-19-7-5-2)23-29(37)28(21-25-13-10-9-11-14-25)35-34(38)45-31-24-44-33-27(31)17-20-43-33/h4-5,9-11,13-16,22,27-29,31,33,37H,1-2,6-8,12,17-21,23-24H2,3H3,(H,35,38)/t27-,28-,29+,31-,33+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 6.90 -46.6n/an/an/an/an/a6.425



Purdue University



Assay Description
The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...

J Med Chem 52: 7689-705 (2009)


Article DOI: 10.1021/jm900695w
BindingDB Entry DOI: 10.7270/Q2G44NN7
More data for this
Ligand-Target Pair