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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 = 'BDBM50287023'   
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)
BDBM50287023
PNG
(CHEMBL15053 | N-tert-Butyl-2-(4-hydroxy-2-oxo-6-ph...)
Show SMILES CC(C)(C)NC(=O)c1ccccc1CSc1c(O)cc(oc1=O)-c1ccccc1
Show InChI InChI=1S/C23H23NO4S/c1-23(2,3)24-21(26)17-12-8-7-11-16(17)14-29-20-18(25)13-19(28-22(20)27)15-9-5-4-6-10-15/h4-13,25H,14H2,1-3H3,(H,24,26)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
n/an/a 190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 protease(PR).


Bioorg Med Chem Lett 6: 1133-1138 (1996)


Article DOI: 10.1016/0960-894X(96)00185-0
BindingDB Entry DOI: 10.7270/Q2GB2418
More data for this
Ligand-Target Pair