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BDBM50176543 6-(4-cyano-5-((tetrahydrofuran-2-yl)methylamino)-3-(trifluoromethyl)-1H-pyrazol-1-yl)pyridine-3-sulfonamide::CHEMBL426475

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

InChI Key: InChIKey=OHHOEBPZBMYVLT-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 = 50176543   
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)
BDBM50176543
PNG
(6-(4-cyano-5-((tetrahydrofuran-2-yl)methylamino)-3...)
Show SMILES NS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1NCC1CCCO1)C(F)(F)F
Show InChI InChI=1S/C15H15F3N6O3S/c16-15(17,18)13-11(6-19)14(22-7-9-2-1-5-27-9)24(23-13)12-4-3-10(8-21-12)28(20,25)26/h3-4,8-9,22H,1-2,5,7H2,(H2,20,25,26)
PDB
MMDB

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KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.25E+3n/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)
BDBM50176543
PNG
(6-(4-cyano-5-((tetrahydrofuran-2-yl)methylamino)-3...)
Show SMILES NS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1NCC1CCCO1)C(F)(F)F
Show InChI InChI=1S/C15H15F3N6O3S/c16-15(17,18)13-11(6-19)14(22-7-9-2-1-5-27-9)24(23-13)12-4-3-10(8-21-12)28(20,25)26/h3-4,8-9,22H,1-2,5,7H2,(H2,20,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.46E+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