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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-2' and Monomerid = 50097201   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50097201
PNG
((1R,4aR,7S)-1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a,6,...)
Show SMILES C[C@@]1(CC=C2C(CCC3[C@@](C)(CCC[C@@]23C)C(=O)NN)C1)C=C
Show InChI InChI=1S/C20H32N2O/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(23)22-21/h5,9,14,16H,1,6-8,10-13,21H2,2-4H3,(H,22,23)/t14?,16?,18-,19-,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.19E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin G/H synthase 2 from sheep placental cotyledons


Bioorg Med Chem Lett 14: 3487-90 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.054
BindingDB Entry DOI: 10.7270/Q20Z72RM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50097201
PNG
((1R,4aR,7S)-1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a,6,...)
Show SMILES C[C@@]1(CC=C2C(CCC3[C@@](C)(CCC[C@@]23C)C(=O)NN)C1)C=C
Show InChI InChI=1S/C20H32N2O/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(23)22-21/h5,9,14,16H,1,6-8,10-13,21H2,2-4H3,(H,22,23)/t14?,16?,18-,19-,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.19E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from sheep placental cotyledons


Bioorg Med Chem Lett 11: 559-62 (2001)


Article DOI: 10.1016/s0960-894x(01)00004-x
BindingDB Entry DOI: 10.7270/Q2FJ2G15
More data for this
Ligand-Target Pair