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PubMed code 23059546

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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
Cyclooxygenase


(Homo sapiens (human))
BDBM50401472
PNG
(CHEMBL2204564)
Show SMILES COc1ccc(cc1)C(=O)n1nc(C)c2nnc3cc(Cl)c(F)cc3c12
Show InChI InChI=1S/C18H12ClFN4O2/c1-9-16-17(12-7-14(20)13(19)8-15(12)21-22-16)24(23-9)18(25)10-3-5-11(26-2)6-4-10/h3-8H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 using PGG2 as substrate and N,N,N,N-tetramethyl-p-phenylnediamine measured for 25 secs by spectrophotometric ana...


Eur J Med Chem 57: 176-84 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.045
BindingDB Entry DOI: 10.7270/Q2T154TQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50401473
PNG
(CHEMBL2204556)
Show SMILES Cc1nn(C(=O)c2ccc(C)cc2)c2c1nnc1cc(Cl)c(F)cc21
Show InChI InChI=1S/C18H12ClFN4O/c1-9-3-5-11(6-4-9)18(25)24-17-12-7-14(20)13(19)8-15(12)21-22-16(17)10(2)23-24/h3-8H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.28E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 using PGG2 as substrate and N,N,N,N-tetramethyl-p-phenylnediamine measured for 25 secs by spectrophotometric ana...


Eur J Med Chem 57: 176-84 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.045
BindingDB Entry DOI: 10.7270/Q2T154TQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%