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BDBM50247189 5-(2-(3,4-dimethoxyphenyl)prop-1-enyl)benzene-1,3-diol::CHEMBL475135

SMILES: COc1ccc(cc1OC)C(\C)=C\c1cc(O)cc(O)c1

InChI Key: InChIKey=YDIDEQHRPVKNMB-IZZDOVSWSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50247189   
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
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50247189
PNG
(5-(2-(3,4-dimethoxyphenyl)prop-1-enyl)benzene-1,3-...)
Show SMILES COc1ccc(cc1OC)C(\C)=C\c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H18O4/c1-11(6-12-7-14(18)10-15(19)8-12)13-4-5-16(20-2)17(9-13)21-3/h4-10,18-19H,1-3H3/b11-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.37E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50247189
PNG
(5-(2-(3,4-dimethoxyphenyl)prop-1-enyl)benzene-1,3-...)
Show SMILES COc1ccc(cc1OC)C(\C)=C\c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H18O4/c1-11(6-12-7-14(18)10-15(19)8-12)13-4-5-16(20-2)17(9-13)21-3/h4-10,18-19H,1-3H3/b11-6+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.14E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem 17: 1044-54 (2009)


Article DOI: 10.1016/j.bmc.2008.04.031
BindingDB Entry DOI: 10.7270/Q2WH2PRR
More data for this
Ligand-Target Pair