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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50479402'   
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)
BDBM50479402
PNG
(CHEMBL495952)
Show SMILES COc1cccc2n(Cc3cccc(F)c3F)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15F2NO5/c1-28-17-7-3-6-14-18(17)12(15(24)8-16(25)20(26)27)10-23(14)9-11-4-2-5-13(21)19(11)22/h2-8,10,25H,9H2,1H3,(H,26,27)/b16-8-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479402
PNG
(CHEMBL495952)
Show SMILES COc1cccc2n(Cc3cccc(F)c3F)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15F2NO5/c1-28-17-7-3-6-14-18(17)12(15(24)8-16(25)20(26)27)10-23(14)9-11-4-2-5-13(21)19(11)22/h2-8,10,25H,9H2,1H3,(H,26,27)/b16-8-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair