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2 similar compounds to monomer 50317917

Compile data set for download or QSAR
Wt: 263.3
BDBM50317918
Wt: 328.4
BDBM50317919

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50317918,50317919   
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-2)


(Ovis aries (Sheep))
BDBM50317918
PNG
((2S*,4R*,6S*)-Tetrahydro-2-methyl-4-phenyl-6-(thio...)
Show SMILES C[C@H]1C[C@@](O)(C[C@@H](CSC#N)O1)c1ccccc1
Show InChI InChI=1/C14H17NO2S/c1-11-7-14(16,12-5-3-2-4-6-12)8-13(17-11)9-18-10-15/h2-6,11,13,16H,7-9H2,1H3/t11-,13-,14+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 117n/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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50317919
PNG
((2S*,4R*,6R*)-2-((Ethylthio)methyl)tetrahydro-4,6-...)
Show SMILES CCSC[C@@H]1C[C@](O)(C[C@@H](O1)c1ccccc1)c1ccccc1
Show InChI InChI=1/C20H24O2S/c1-2-23-15-18-13-20(21,17-11-7-4-8-12-17)14-19(22-18)16-9-5-3-6-10-16/h3-12,18-19,21H,2,13-15H2,1H3/t18-,19+,20-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.93E+3n/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))
BDBM50317919
PNG
((2S*,4R*,6R*)-2-((Ethylthio)methyl)tetrahydro-4,6-...)
Show SMILES CCSC[C@@H]1C[C@](O)(C[C@@H](O1)c1ccccc1)c1ccccc1
Show InChI InChI=1/C20H24O2S/c1-2-23-15-18-13-20(21,17-11-7-4-8-12-17)14-19(22-18)16-9-5-3-6-10-16/h3-12,18-19,21H,2,13-15H2,1H3/t18-,19+,20-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.07n/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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50317918
PNG
((2S*,4R*,6S*)-Tetrahydro-2-methyl-4-phenyl-6-(thio...)
Show SMILES C[C@H]1C[C@@](O)(C[C@@H](CSC#N)O1)c1ccccc1
Show InChI InChI=1/C14H17NO2S/c1-11-7-14(16,12-5-3-2-4-6-12)8-13(17-11)9-18-10-15/h2-6,11,13,16H,7-9H2,1H3/t11-,13-,14+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 368n/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