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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 = 'BDBM9229'   
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)		BDBM9229
PNG
((2R,4S)-2-benzyl-5-[(3S)-3,5-dibenzyl-1,1-dioxo-1,...)
Show SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CN(Cc2ccccc2)S1(=O)=O |r|
Show InChI InChI=1S/C37H41N3O5S/c41-33(22-31(20-27-12-4-1-5-13-27)37(43)38-36-34-19-11-10-18-30(34)23-35(36)42)26-40-32(21-28-14-6-2-7-15-28)25-39(46(40,44)45)24-29-16-8-3-9-17-29/h1-19,31-33,35-36,41-42H,20-26H2,(H,38,43)/t31-,32+,33+,35-,36+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.800 -51.9n/an/an/an/an/a6.425



GlaxoSmithKline



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...

Bioorg Med Chem Lett 10: 1159-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00163-3
BindingDB Entry DOI: 10.7270/Q2X63K5G
More data for this
Ligand-Target Pair