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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50091869'   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50091869
PNG
(CHEMBL302464 | [(S)-1-Benzyl-2-oxo-2-((R)-3-oxo-2-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(=O)[C@H]1Sc1ccccc1
Show InChI InChI=1S/C24H28N2O4S/c1-24(2,3)30-23(29)25-19(16-17-10-6-4-7-11-17)21(28)26-15-14-20(27)22(26)31-18-12-8-5-9-13-18/h4-13,19,22H,14-16H2,1-3H3,(H,25,29)/t19-,22+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8n/an/an/an/an/an/a



Université de la Méditerranée

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of HIV-1 protease


Bioorg Med Chem Lett 10: 2023-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7V7J
More data for this
Ligand-Target Pair