BindingDB logo
myBDB logout

null

SMILES: COc1ccc(cc1)C(=O)\C=C\C1=Cc2c(OC1)ccc1ccccc21

InChI Key: InChIKey=VGKLJJYYARHSAF-WUXMJOGZSA-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 2 hits for monomerid = 50522772   
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))
BDBM50522772
PNG
(CHEMBL4567855)
Show SMILES COc1ccc(cc1)C(=O)\C=C\C1=Cc2c(OC1)ccc1ccccc21 |t:13|
Show InChI InChI=1S/C23H18O3/c1-25-19-10-7-18(8-11-19)22(24)12-6-16-14-21-20-5-3-2-4-17(20)9-13-23(21)26-15-16/h2-14H,15H2,1H3/b12-6+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.04E+3n/an/an/an/an/an/a



Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50522772
PNG
(CHEMBL4567855)
Show SMILES COc1ccc(cc1)C(=O)\C=C\C1=Cc2c(OC1)ccc1ccccc21 |t:13|
Show InChI InChI=1S/C23H18O3/c1-25-19-10-7-18(8-11-19)22(24)12-6-16-14-21-20-5-3-2-4-17(20)9-13-23(21)26-15-16/h2-14H,15H2,1H3/b12-6+
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 380n/an/an/an/an/an/a



Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair