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SMILES: CC(C([O-])=O)c1ccc(CC2CCCC2=O)cc1Cl

InChI Key: InChIKey=FCCYWLAYYNYUTM-UHFFFAOYSA-M

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50349898   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50349898
PNG
(CHEMBL1814707)
Show SMILES CC(C([O-])=O)c1ccc(CC2CCCC2=O)cc1Cl
Show InChI InChI=1S/C15H17ClO3/c1-9(15(18)19)12-6-5-10(8-13(12)16)7-11-3-2-4-14(11)17/h5-6,8-9,11H,2-4,7H2,1H3,(H,18,19)/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of human whole blood COX-2 assessed as production of PGE2 after 24 hrs by EIA


Bioorg Med Chem 19: 3299-311 (2011)


Article DOI: 10.1016/j.bmc.2011.04.050
BindingDB Entry DOI: 10.7270/Q2NZ881Z
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50349898
PNG
(CHEMBL1814707)
Show SMILES CC(C([O-])=O)c1ccc(CC2CCCC2=O)cc1Cl
Show InChI InChI=1S/C15H17ClO3/c1-9(15(18)19)12-6-5-10(8-13(12)16)7-11-3-2-4-14(11)17/h5-6,8-9,11H,2-4,7H2,1H3,(H,18,19)/p-1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of human whole blood COX-1 assessed as production of TXB2 after 24 hrs by EIA


Bioorg Med Chem 19: 3299-311 (2011)


Article DOI: 10.1016/j.bmc.2011.04.050
BindingDB Entry DOI: 10.7270/Q2NZ881Z
More data for this
Ligand-Target Pair