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BDBM50249343 (2R,4R,6S)-2-(4-fluorophenyl)-4-methyl-6-(thiocyanatomethyl)tetrahydro-2H-pyran-4-ol::CHEMBL475350

SMILES: C[C@]1(O)C[C@@H](CSC#N)O[C@H](C1)c1ccc(F)cc1

InChI Key: InChIKey=HWEZADQPZOJSED-RDMRCOCINA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50249343   
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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50249343
PNG
((2R,4R,6S)-2-(4-fluorophenyl)-4-methyl-6-(thiocyan...)
Show SMILES C[C@]1(O)C[C@@H](CSC#N)O[C@H](C1)c1ccc(F)cc1
Show InChI InChI=1/C14H16FNO2S/c1-14(17)6-12(8-19-9-16)18-13(7-14)10-2-4-11(15)5-3-10/h2-5,12-13,17H,6-8H2,1H3/t12-,13+,14-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Eur J Med Chem 44: 1278-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.08.008
BindingDB Entry DOI: 10.7270/Q2H41R8Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50249343
PNG
((2R,4R,6S)-2-(4-fluorophenyl)-4-methyl-6-(thiocyan...)
Show SMILES C[C@]1(O)C[C@@H](CSC#N)O[C@H](C1)c1ccc(F)cc1
Show InChI InChI=1/C14H16FNO2S/c1-14(17)6-12(8-19-9-16)18-13(7-14)10-2-4-11(15)5-3-10/h2-5,12-13,17H,6-8H2,1H3/t12-,13+,14-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Eur J Med Chem 44: 1278-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.08.008
BindingDB Entry DOI: 10.7270/Q2H41R8Q
More data for this
Ligand-Target Pair