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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50483358'   
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
Integrase


(Human immunodeficiency virus 1)
BDBM50483358
PNG
(CHEMBL1669249)
Show SMILES COc1cc(OC)c2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c2c1
Show InChI InChI=1S/C21H18FNO6/c1-28-14-7-15-16(17(24)9-18(25)21(26)27)11-23(20(15)19(8-14)29-2)10-12-3-5-13(22)6-4-12/h3-9,11,25H,10H2,1-2H3,(H,26,27)/b18-9-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 251n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase after 1 hr by ELISA


Eur J Med Chem 46: 756-64 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.012
BindingDB Entry DOI: 10.7270/Q23B62ZN
More data for this
Ligand-Target Pair