BindingDB logo
myBDB logout

null

SMILES: COc1cc(cc(OC)c1OC)-c1cc(nn1-c1ccccc1)C(=O)CCCOc1ccc2ccc(=O)oc2c1

InChI Key:

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 2 hits for monomerid = 50580629   
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 2


(Homo sapiens (Human))
BDBM50580629
PNG
(CHEMBL5085564)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(nn1-c1ccccc1)C(=O)CCCOc1ccc2ccc(=O)oc2c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human COX-2 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by EI...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00880
BindingDB Entry DOI: 10.7270/Q2JH3R2W
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50580629
PNG
(CHEMBL5085564)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(nn1-c1ccccc1)C(=O)CCCOc1ccc2ccc(=O)oc2c1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.31E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by EI...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00880
BindingDB Entry DOI: 10.7270/Q2JH3R2W
More data for this
Ligand-Target Pair