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SMILES: COc1cc(O)c-2c(CCc3cc(O)ccc-23)c1

InChI Key: InChIKey=RDKDIPDDUFMMMT-UHFFFAOYSA-N

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 3 hits for monomerid = 246496   
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
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM246496
PNG
(2,5-Dihydroxy-7-methoxy-9,10-dihydrophenanthrene (...)
Show SMILES COc1cc(O)c-2c(CCc3cc(O)ccc-23)c1
Show InChI InChI=1S/C15H14O3/c1-18-12-7-10-3-2-9-6-11(16)4-5-13(9)15(10)14(17)8-12/h4-8,16-17H,2-3H2,1H3
PDB

UniProtKB/SwissProt

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MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
4.96E+3 -7.52 2.51E+4n/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 1


(Ovis aries (Sheep))
BDBM246496
PNG
(2,5-Dihydroxy-7-methoxy-9,10-dihydrophenanthrene (...)
Show SMILES COc1cc(O)c-2c(CCc3cc(O)ccc-23)c1
Show InChI InChI=1S/C15H14O3/c1-18-12-7-10-3-2-9-6-11(16)4-5-13(9)15(10)14(17)8-12/h4-8,16-17H,2-3H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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AffyNet 
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MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>4.12E+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
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM246496
PNG
(2,5-Dihydroxy-7-methoxy-9,10-dihydrophenanthrene (...)
Show SMILES COc1cc(O)c-2c(CCc3cc(O)ccc-23)c1
Show InChI InChI=1S/C15H14O3/c1-18-12-7-10-3-2-9-6-11(16)4-5-13(9)15(10)14(17)8-12/h4-8,16-17H,2-3H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.54E+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