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BDBM50317927 (2R*,3S*,4R*,6S*)-6-((Ethylthio)methyl)tetrahydro-2,3,4-triphenyl-2H-pyran-4-ol::CHEMBL1094097

SMILES: CCSC[C@@H]1C[C@@](O)([C@H]([C@@H](O1)c1ccccc1)c1ccccc1)c1ccccc1

InChI Key: InChIKey=UPTSZZUOIGQJNC-CQJMVLFOSA-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 = 50317927   
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))
BDBM50317927
PNG
((2R*,3S*,4R*,6S*)-6-((Ethylthio)methyl)tetrahydro-...)
Show SMILES CCSC[C@@H]1C[C@@](O)([C@H]([C@@H](O1)c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H28O2S/c1-2-29-19-23-18-26(27,22-16-10-5-11-17-22)24(20-12-6-3-7-13-20)25(28-23)21-14-8-4-9-15-21/h3-17,23-25,27H,2,18-19H2,1H3/t23-,24-,25-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.39E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50317927
PNG
((2R*,3S*,4R*,6S*)-6-((Ethylthio)methyl)tetrahydro-...)
Show SMILES CCSC[C@@H]1C[C@@](O)([C@H]([C@@H](O1)c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H28O2S/c1-2-29-19-23-18-26(27,22-16-10-5-11-17-22)24(20-12-6-3-7-13-20)25(28-23)21-14-8-4-9-15-21/h3-17,23-25,27H,2,18-19H2,1H3/t23-,24-,25-,26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.72n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair