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BDBM50179596 5-(cyclopentylmethoxy)-1-(5-(methylsulfonyl)pyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile::CHEMBL381716

SMILES: CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1OCC1CCCC1)C(F)(F)F

InChI Key: InChIKey=TXJYDKCNLUJSIQ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50179596   
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)
BDBM50179596
PNG
(5-(cyclopentylmethoxy)-1-(5-(methylsulfonyl)pyridi...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1OCC1CCCC1)C(F)(F)F
Show InChI InChI=1S/C17H17F3N4O3S/c1-28(25,26)12-6-7-14(22-9-12)24-16(27-10-11-4-2-3-5-11)13(8-21)15(23-24)17(18,19)20/h6-7,9,11H,2-5,10H2,1H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 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)
BDBM50179596
PNG
(5-(cyclopentylmethoxy)-1-(5-(methylsulfonyl)pyridi...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1OCC1CCCC1)C(F)(F)F
Show InChI InChI=1S/C17H17F3N4O3S/c1-28(25,26)12-6-7-14(22-9-12)24-16(27-10-11-4-2-3-5-11)13(8-21)15(23-24)17(18,19)20/h6-7,9,11H,2-5,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/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