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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50482527'   
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)
BDBM50482527
PNG
(CHEMBL1213726)
Show SMILES COc1cccc2n(Cc3ccc(F)cc3Cl)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15ClFNO5/c1-28-18-4-2-3-15-19(18)13(16(24)8-17(25)20(26)27)10-23(15)9-11-5-6-12(22)7-14(11)21/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482527
PNG
(CHEMBL1213726)
Show SMILES COc1cccc2n(Cc3ccc(F)cc3Cl)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15ClFNO5/c1-28-18-4-2-3-15-19(18)13(16(24)8-17(25)20(26)27)10-23(15)9-11-5-6-12(22)7-14(11)21/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 540n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair