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SMILES: Cc1cc(=O)c(Oc2ccc(Cl)cc2F)c(o1)-c1ccc(cc1)[S@](C)=O

InChI Key: InChIKey=NFRYFKOUAODBAF-SANMLTNESA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50186096   
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))
BDBM50186096
PNG
((R)-3-(4-chloro-2-fluorophenoxy)-6-methyl-2-(4-(me...)
Show SMILES Cc1cc(=O)c(Oc2ccc(Cl)cc2F)c(o1)-c1ccc(cc1)[S@](C)=O |r|
Show InChI InChI=1S/C19H14ClFO4S/c1-11-9-16(22)19(25-17-8-5-13(20)10-15(17)21)18(24-11)12-3-6-14(7-4-12)26(2)23/h3-10H,1-2H3/t26-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 670n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood


Bioorg Med Chem Lett 16: 3605-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.101
BindingDB Entry DOI: 10.7270/Q22B8XND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50186096
PNG
((R)-3-(4-chloro-2-fluorophenoxy)-6-methyl-2-(4-(me...)
Show SMILES Cc1cc(=O)c(Oc2ccc(Cl)cc2F)c(o1)-c1ccc(cc1)[S@](C)=O |r|
Show InChI InChI=1S/C19H14ClFO4S/c1-11-9-16(22)19(25-17-8-5-13(20)10-15(17)21)18(24-11)12-3-6-14(7-4-12)26(2)23/h3-10H,1-2H3/t26-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood


Bioorg Med Chem Lett 16: 3605-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.101
BindingDB Entry DOI: 10.7270/Q22B8XND
More data for this
Ligand-Target Pair