BindingDB logo
myBDB logout

BDBM50177405 3-methoxy-4-hydroxybenzaldehyde::4-hydroxy-3-methoxybenzaldehyde::4-hydroxy-m-anisaldehyde::CHEMBL13883::p-hydroxy-m-methoxybenzaldehyde::p-vanillin::vanillin

InChI string: InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3

SMILES: COc1cc(C=O)ccc1O

InChI Key: InChIKey=MWOOGOJBHIARFG-UHFFFAOYSA-N

Data: 6 IC50

PDB links: 5 PDB IDs match this monomer.

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 6 hits for monomerid = 50177405   
Target
(Institution)
LigandTarget
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
Succinate semialdehyde dehydrogenase


(Homo sapiens)
BDBM50177405
PNG
(3-methoxy-4-hydroxybenzaldehyde | 4-hydroxy-3-meth...)
Show SMILES COc1cc(C=O)ccc1O
Show InChI InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 1.56E+4n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against SSADH


Bioorg Med Chem Lett 16: 592-5 (2005)

More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Homo sapiens)
BDBM50177405
PNG
(3-methoxy-4-hydroxybenzaldehyde | 4-hydroxy-3-meth...)
Show SMILES COc1cc(C=O)ccc1O
Show InChI InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 1.71E+4n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against GABAT


Bioorg Med Chem Lett 16: 592-5 (2005)

More data for this
Ligand-Target Pair
Chorismate mutase (MTB CM)


(Mycobacterium tuberculosis H37Rv)
BDBM50177405
PNG
(3-methoxy-4-hydroxybenzaldehyde | 4-hydroxy-3-meth...)
Show SMILES COc1cc(C=O)ccc1O
Show InChI InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 2.48E+4n/an/an/an/a7.537



Birla Institute of Technology & Science-Pilani



Assay Description
Reaction volumes of 0.4 mL of chorismate (typically, 1 mM) in 50 mM Tris-HCl (pH 7.5), 0.5 mM EDTA, 0.1 mg/mL bovine serum albumin, and 10 mM β-...


J Enzyme Inhib Med Chem 29: 547-54 (2014)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50177405
PNG
(3-methoxy-4-hydroxybenzaldehyde | 4-hydroxy-3-meth...)
Show SMILES COc1cc(C=O)ccc1O
Show InChI InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a>4.27E+5n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)


J Med Chem 48: 5666-74 (2005)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50177405
PNG
(3-methoxy-4-hydroxybenzaldehyde | 4-hydroxy-3-meth...)
Show SMILES COc1cc(C=O)ccc1O
Show InChI InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 1.50E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK assessed as inhibition of p53 peptide phosphorylation


Bioorg Med Chem Lett 22: 5352-9 (2012)

More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50177405
PNG
(3-methoxy-4-hydroxybenzaldehyde | 4-hydroxy-3-meth...)
Show SMILES COc1cc(C=O)ccc1O
Show InChI InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 7.44E+4n/an/an/an/an/an/a



Daegu Haany University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic lipase assessed as p-NPB hydrolysis by ELISA


Bioorg Med Chem Lett 21: 1512-4 (2011)

More data for this
Ligand-Target Pair