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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50479058'   
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)
BDBM50479058
PNG
(CHEMBL467380)
Show SMILES COC(=O)C(\O)=C\C(=O)c1cccc(Cc2ccccc2F)c1
Show InChI InChI=1S/C18H15FO4/c1-23-18(22)17(21)11-16(20)14-7-4-5-12(10-14)9-13-6-2-3-8-15(13)19/h2-8,10-11,21H,9H2,1H3/b17-11-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479058
PNG
(CHEMBL467380)
Show SMILES COC(=O)C(\O)=C\C(=O)c1cccc(Cc2ccccc2F)c1
Show InChI InChI=1S/C18H15FO4/c1-23-18(22)17(21)11-16(20)14-7-4-5-12(10-14)9-13-6-2-3-8-15(13)19/h2-8,10-11,21H,9H2,1H3/b17-11-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair