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BDBM50139370 4-Methoxy-benzaldehyde::4-methoxybenzaldehyde::CHEMBL161598

SMILES: COc1ccc(C=O)cc1

InChI Key: InChIKey=ZRSNZINYAWTAHE-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50139370   
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 2A6


(Homo sapiens (Human))
BDBM50139370
PNG
(4-Methoxy-benzaldehyde | 4-methoxybenzaldehyde | C...)
Show SMILES COc1ccc(C=O)cc1
Show InChI InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
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Article
PubMed
n/an/a 5.15E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cytochrome P450 2A6


J Med Chem 48: 440-9 (2005)


Article DOI: 10.1021/jm049536b
BindingDB Entry DOI: 10.7270/Q20C4WJV
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50139370
PNG
(4-Methoxy-benzaldehyde | 4-methoxybenzaldehyde | C...)
Show SMILES COc1ccc(C=O)cc1
Show InChI InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
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Article
PubMed
n/an/a 3.20E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against the oxidation of L-3,4-dihydroxyphenylalanine (L-DOPA) catalyzed by mushroom tyrosinase


Bioorg Med Chem Lett 14: 681-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.033
BindingDB Entry DOI: 10.7270/Q27S7N6X
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50139370
PNG
(4-Methoxy-benzaldehyde | 4-methoxybenzaldehyde | C...)
Show SMILES COc1ccc(C=O)cc1
Show InChI InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
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Article
PubMed
n/an/a 2.70E+5n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cytochrome P450 1A2


J Med Chem 48: 3808-15 (2005)


Article DOI: 10.1021/jm0489713
BindingDB Entry DOI: 10.7270/Q2R2125K
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Homo sapiens)
BDBM50139370
PNG
(4-Methoxy-benzaldehyde | 4-methoxybenzaldehyde | C...)
Show SMILES COc1ccc(C=O)cc1
Show InChI InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
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Article
PubMed
n/an/a>1.00E+6n/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)


Article DOI: 10.1016/j.bmcl.2005.10.040
BindingDB Entry DOI: 10.7270/Q29G5MCH
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50139370
PNG
(4-Methoxy-benzaldehyde | 4-methoxybenzaldehyde | C...)
Show SMILES COc1ccc(C=O)cc1
Show InChI InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
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Article
PubMed
n/an/a 5.23E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


J Med Chem 48: 440-9 (2005)


Article DOI: 10.1021/jm049536b
BindingDB Entry DOI: 10.7270/Q20C4WJV
More data for this
Ligand-Target Pair
Succinate semialdehyde dehydrogenase


(Homo sapiens)
BDBM50139370
PNG
(4-Methoxy-benzaldehyde | 4-methoxybenzaldehyde | C...)
Show SMILES COc1ccc(C=O)cc1
Show InChI InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
PDB
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Article
PubMed
n/an/a>1.00E+6n/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)


Article DOI: 10.1016/j.bmcl.2005.10.040
BindingDB Entry DOI: 10.7270/Q29G5MCH
More data for this
Ligand-Target Pair