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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 246500   
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
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM246500
PNG
((4E,6E)-1,7-bis(4-hydroxyphenyl)-4,6-heptadien-3-o...)
Show SMILES Oc1ccc(CCC(=O)\C=C\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-6,8-9,11-14,21-22H,7,10H2/b3-1+,4-2+
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
1.92E+3 -33.9 9.12E+3n/an/an/an/a7.437



Seoul National University



Assay Description
Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...


J Enzyme Inhib Med Chem 29: 1-6 (2014)


Article DOI: 10.3109/14756366.2012.742517
BindingDB Entry DOI: 10.7270/Q2DJ5DKB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM246500
PNG
((4E,6E)-1,7-bis(4-hydroxyphenyl)-4,6-heptadien-3-o...)
Show SMILES Oc1ccc(CCC(=O)\C=C\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-6,8-9,11-14,21-22H,7,10H2/b3-1+,4-2+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.66E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by colorimetric assay


Bioorg Med Chem 17: 2689-94 (2009)


Article DOI: 10.1016/j.bmc.2009.02.057
BindingDB Entry DOI: 10.7270/Q2RF5XTR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM246500
PNG
((4E,6E)-1,7-bis(4-hydroxyphenyl)-4,6-heptadien-3-o...)
Show SMILES Oc1ccc(CCC(=O)\C=C\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-6,8-9,11-14,21-22H,7,10H2/b3-1+,4-2+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.39E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by colorimetric assay


Bioorg Med Chem 17: 2689-94 (2009)


Article DOI: 10.1016/j.bmc.2009.02.057
BindingDB Entry DOI: 10.7270/Q2RF5XTR
More data for this
Ligand-Target Pair