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BDBM50137411 2-[3-Difluoromethyl-5-(4-methoxy-phenyl)-pyrazol-1-yl]-5-methanesulfonyl-pyridine::CHEMBL177244

SMILES: COc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F

InChI Key: InChIKey=DWJWVSNNLQCKNT-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50137411   
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
Cyclooxygenase-2


(Canis familiaris)
BDBM50137411
PNG
(2-[3-Difluoromethyl-5-(4-methoxy-phenyl)-pyrazol-1...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H15F2N3O3S/c1-25-12-5-3-11(4-6-12)15-9-14(17(18)19)21-22(15)16-8-7-13(10-20-16)26(2,23)24/h3-10,17H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 64n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Cyclooxygenase-1


(Canis familiaris)
BDBM50137411
PNG
(2-[3-Difluoromethyl-5-(4-methoxy-phenyl)-pyrazol-1...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H15F2N3O3S/c1-25-12-5-3-11(4-6-12)15-9-14(17(18)19)21-22(15)16-8-7-13(10-20-16)26(2,23)24/h3-10,17H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 1.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair