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BDBM50159265 4-Methylbenzaldehyde::4-Tolualdehyde::CHEMBL190927::PTAL::Paratolualdehyde::p-Tolualdehyde, c::p-Toluylaldehyde::p-Tolylaldehyde::p-tolualdehyde::para-Methylbenzaldehyde::para-Tolualdehyde::para-Toluyl aldehyde

SMILES: Cc1ccc(C=O)cc1

InChI Key: InChIKey=FXLOVSHXALFLKQ-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50159265   
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
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50159265
PNG
(4-Methylbenzaldehyde | 4-Tolualdehyde | CHEMBL1909...)
Show SMILES Cc1ccc(C=O)cc1
Show InChI InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Xiamen University



Assay Description
Inhibition of alklbenzaldehydes on tyrosinase enzyme.


J Enzyme Inhib Med Chem 18: 491-6 (2003)

More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159265
PNG
(4-Methylbenzaldehyde | 4-Tolualdehyde | CHEMBL1909...)
Show SMILES Cc1ccc(C=O)cc1
Show InChI InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
PDB
MMDB

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CHEMBL
KEGG
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PC sid
UniChem

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Article
PubMed
n/an/a 4.68E+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)

More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM50159265
PNG
(4-Methylbenzaldehyde | 4-Tolualdehyde | CHEMBL1909...)
Show SMILES Cc1ccc(C=O)cc1
Show InChI InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.88E+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)

More data for this
Ligand-Target Pair