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BDBM50137442 2-[3-Difluoromethyl-5-(3-fluoro-4-methoxy-phenyl)-pyrazol-1-yl]-5-methanesulfonyl-pyridine::CHEMBL174724

SMILES: COc1ccc(cc1F)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F

InChI Key: InChIKey=VDICPBRPMLKVMM-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50137442   
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)
BDBM50137442
PNG
(2-[3-Difluoromethyl-5-(3-fluoro-4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1F)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-15-5-3-10(7-12(15)18)14-8-13(17(19)20)22-23(14)16-6-4-11(9-21-16)27(2,24)25/h3-9,17H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 50n/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)
BDBM50137442
PNG
(2-[3-Difluoromethyl-5-(3-fluoro-4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1F)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-15-5-3-10(7-12(15)18)14-8-13(17(19)20)22-23(14)16-6-4-11(9-21-16)27(2,24)25/h3-9,17H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 9.90E+3n/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