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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 = 'BDBM9191'   
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)
BDBM9191
PNG
((2R,4S)-2-benzyl-5-[(3S,5R)-3-benzyl-5-{[4-(2-hydr...)
Show SMILES OCCOc1ccc(C[C@H]2C[C@H](Cc3ccccc3)C(=O)N2C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
Show InChI InChI=1S/C41H46N2O6/c44-19-20-49-36-17-15-30(16-18-36)23-34-24-33(22-29-11-5-2-6-12-29)41(48)43(34)27-35(45)25-32(21-28-9-3-1-4-10-28)40(47)42-39-37-14-8-7-13-31(37)26-38(39)46/h1-18,32-35,38-39,44-46H,19-27H2,(H,42,47)/t32-,33+,34+,35+,38-,39+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.300 -54.4 480n/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 15: 81-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.029
BindingDB Entry DOI: 10.7270/Q29G5K1M
More data for this
Ligand-Target Pair