BindingDB logo
myBDB logout

null

SMILES: COc1cc(NC(C)=O)ccc1O

InChI Key: InChIKey=KIZWIAQUWRXFNC-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 = 50246685   
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 1


(Homo sapiens (Human))
BDBM50246685
PNG
(CHEMBL498882 | N-(4-hydroxy-3-methoxyphenyl)acetam...)
Show SMILES COc1cc(NC(C)=O)ccc1O
Show InChI InChI=1S/C9H11NO3/c1-6(11)10-7-3-4-8(12)9(5-7)13-2/h3-5,12H,1-2H3,(H,10,11)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.34E+5n/an/an/an/an/an/a



Martin-Luther-Universitaet

Curated by ChEMBL


Assay Description
Inhibition of cyclooxygenase 1 in human whole blood assessed as thromboxane B2 level


J Med Chem 51: 7800-5 (2008)


Article DOI: 10.1021/jm800807k
BindingDB Entry DOI: 10.7270/Q2ST7PPX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50246685
PNG
(CHEMBL498882 | N-(4-hydroxy-3-methoxyphenyl)acetam...)
Show SMILES COc1cc(NC(C)=O)ccc1O
Show InChI InChI=1S/C9H11NO3/c1-6(11)10-7-3-4-8(12)9(5-7)13-2/h3-5,12H,1-2H3,(H,10,11)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.38E+5n/an/an/an/an/an/a



Martin-Luther-Universitaet

Curated by ChEMBL


Assay Description
Inhibition of cyclooxygenase 2 in human whole blood assessed as prostaglandin H2 level


J Med Chem 51: 7800-5 (2008)


Article DOI: 10.1021/jm800807k
BindingDB Entry DOI: 10.7270/Q2ST7PPX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50246685
PNG
(CHEMBL498882 | N-(4-hydroxy-3-methoxyphenyl)acetam...)
Show SMILES COc1cc(NC(C)=O)ccc1O
Show InChI InChI=1S/C9H11NO3/c1-6(11)10-7-3-4-8(12)9(5-7)13-2/h3-5,12H,1-2H3,(H,10,11)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.38E+5n/an/an/an/an/an/a



Martin-Luther-Universitaet

Curated by ChEMBL


Assay Description
Inhibition of cyclooxygenase 2 in human whole blood assessed as prostaglandin H2 level


J Med Chem 51: 7800-5 (2008)


Article DOI: 10.1021/jm800807k
BindingDB Entry DOI: 10.7270/Q2ST7PPX
More data for this
Ligand-Target Pair