new BindingDB logo
myBDB logout

BDBM50247221 5-(3,4-dimethoxystyryl)benzene-1,3-diol::CHEMBL473518

SMILES: COc1ccc(\C=C\c2cc(O)cc(O)c2)cc1OC

InChI Key: InChIKey=WHKSEHKYYXHCTA-ONEGZZNKSA-N

Data: 1 KI  2 IC50

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 = 50247221   
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
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50247221
PNG
(5-(3,4-dimethoxystyryl)benzene-1,3-diol | CHEMBL47...)
Show SMILES COc1ccc(\C=C\c2cc(O)cc(O)c2)cc1OC
Show InChI InChI=1S/C16H16O4/c1-19-15-6-5-11(9-16(15)20-2)3-4-12-7-13(17)10-14(18)8-12/h3-10,17-18H,1-2H3/b4-3+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
90n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of human cytochrome P450 1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50247221
PNG
(5-(3,4-dimethoxystyryl)benzene-1,3-diol | CHEMBL47...)
Show SMILES COc1ccc(\C=C\c2cc(O)cc(O)c2)cc1OC
Show InChI InChI=1S/C16H16O4/c1-19-15-6-5-11(9-16(15)20-2)3-4-12-7-13(17)10-14(18)8-12/h3-10,17-18H,1-2H3/b4-3+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.13E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of COX2


Bioorg Med Chem 17: 1044-54 (2009)

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50247221
PNG
(5-(3,4-dimethoxystyryl)benzene-1,3-diol | CHEMBL47...)
Show SMILES COc1ccc(\C=C\c2cc(O)cc(O)c2)cc1OC
Show InChI InChI=1S/C16H16O4/c1-19-15-6-5-11(9-16(15)20-2)3-4-12-7-13(17)10-14(18)8-12/h3-10,17-18H,1-2H3/b4-3+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem 17: 1044-54 (2009)

More data for this
Ligand-Target Pair