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BDBM50137425 2-(3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl)-5-(methylsulfonyl)pyridine::2-(3-Difluoromethyl-5-phenyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine::CHEMBL174219

SMILES: CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccccc1)C(F)F

InChI Key: InChIKey=LNEWNCVYPLKLFQ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50137425   
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-1


(Canis familiaris)
BDBM50137425
PNG
(2-(3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl)-5-...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccccc1)C(F)F
Show InChI InChI=1S/C16H13F2N3O2S/c1-24(22,23)12-7-8-15(19-10-12)21-14(9-13(20-21)16(17)18)11-5-3-2-4-6-11/h2-10,16H,1H3
PDB
MMDB

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PubMed
n/an/a 4.80E+4n/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
Cyclooxygenase-1


(Canis familiaris)
BDBM50137425
PNG
(2-(3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl)-5-...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccccc1)C(F)F
Show InChI InChI=1S/C16H13F2N3O2S/c1-24(22,23)12-7-8-15(19-10-12)21-14(9-13(20-21)16(17)18)11-5-3-2-4-6-11/h2-10,16H,1H3
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Article
PubMed
n/an/a 4.80E+4n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against COX1 in canine whole blood


Bioorg Med Chem Lett 16: 288-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.006
BindingDB Entry DOI: 10.7270/Q2NZ876S
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137425
PNG
(2-(3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl)-5-...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccccc1)C(F)F
Show InChI InChI=1S/C16H13F2N3O2S/c1-24(22,23)12-7-8-15(19-10-12)21-14(9-13(20-21)16(17)18)11-5-3-2-4-6-11/h2-10,16H,1H3
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Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137425
PNG
(2-(3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl)-5-...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccccc1)C(F)F
Show InChI InChI=1S/C16H13F2N3O2S/c1-24(22,23)12-7-8-15(19-10-12)21-14(9-13(20-21)16(17)18)11-5-3-2-4-6-11/h2-10,16H,1H3
PDB
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UniProtKB/TrEMBL

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Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against COX2 in canine whole blood


Bioorg Med Chem Lett 16: 288-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.006
BindingDB Entry DOI: 10.7270/Q2NZ876S
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137425
PNG
(2-(3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl)-5-...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccccc1)C(F)F
Show InChI InChI=1S/C16H13F2N3O2S/c1-24(22,23)12-7-8-15(19-10-12)21-14(9-13(20-21)16(17)18)11-5-3-2-4-6-11/h2-10,16H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 310n/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