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BDBM50176552 1-(5-(methylsulfonyl)pyridin-2-yl)-5-((tetrahydrofuran-2-yl)methylamino)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile::CHEMBL201696

SMILES: CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1NCC1CCCO1)C(F)(F)F

InChI Key: InChIKey=UTRODGBOGQPVJW-UHFFFAOYNA-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 = 50176552   
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)
BDBM50176552
PNG
(1-(5-(methylsulfonyl)pyridin-2-yl)-5-((tetrahydrof...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1NCC1CCCO1)C(F)(F)F
Show InChI InChI=1/C16H16F3N5O3S/c1-28(25,26)11-4-5-13(21-9-11)24-15(22-8-10-3-2-6-27-10)12(7-20)14(23-24)16(17,18)19/h4-5,9-10,22H,2-3,6,8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 63n/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-1


(Canis familiaris)
BDBM50176552
PNG
(1-(5-(methylsulfonyl)pyridin-2-yl)-5-((tetrahydrof...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1NCC1CCCO1)C(F)(F)F
Show InChI InChI=1/C16H16F3N5O3S/c1-28(25,26)11-4-5-13(21-9-11)24-15(22-8-10-3-2-6-27-10)12(7-20)14(23-24)16(17,18)19/h4-5,9-10,22H,2-3,6,8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.65E+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