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2 similar compounds to monomer 50040958

Compile data set for download or QSAR
Wt: 217.2
BDBM50136052
Wt: 161.1
BDBM50040959
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50136052,50040959   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50136052
PNG
(5-(4-Butoxy-phenyl)-oxazole | CHEMBL358216)
Show SMILES CCCCOc1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C13H15NO2/c1-2-3-8-15-12-6-4-11(5-7-12)13-9-14-10-16-13/h4-7,9-10H,2-3,8H2,1H3
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Article
PubMed
n/an/a 1.01E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit cytochrome P450 2D6.


J Med Chem 46: 5416-27 (2003)


Article DOI: 10.1021/jm020557k
BindingDB Entry DOI: 10.7270/Q2QF8S96
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50136052
PNG
(5-(4-Butoxy-phenyl)-oxazole | CHEMBL358216)
Show SMILES CCCCOc1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C13H15NO2/c1-2-3-8-15-12-6-4-11(5-7-12)13-9-14-10-16-13/h4-7,9-10H,2-3,8H2,1H3
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PubMed
n/an/a 5.81E+4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit cytochrome P450 3A4.


J Med Chem 46: 5416-27 (2003)


Article DOI: 10.1021/jm020557k
BindingDB Entry DOI: 10.7270/Q2QF8S96
More data for this
Ligand-Target Pair
D-aspartate oxidase 3


(Caenorhabditis elegans)
BDBM50040959
PNG
(CHEMBL3354466)
Show SMILES Oc1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C9H7NO2/c11-8-3-1-7(2-4-8)9-5-10-6-12-9/h1-6,11H
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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Caenorhabditis elegans DDO3 incubated for 10 mins


Bioorg Med Chem Lett 25: 313-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.042
BindingDB Entry DOI: 10.7270/Q25B0442
More data for this
Ligand-Target Pair
D-aspartate oxidase 2


(Caenorhabditis elegans)
BDBM50040959
PNG
(CHEMBL3354466)
Show SMILES Oc1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C9H7NO2/c11-8-3-1-7(2-4-8)9-5-10-6-12-9/h1-6,11H
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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Caenorhabditis elegans DDO1 incubated for 10 mins


Bioorg Med Chem Lett 25: 313-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.042
BindingDB Entry DOI: 10.7270/Q25B0442
More data for this
Ligand-Target Pair
D-aspartate oxidase 1


(Caenorhabditis elegans)
BDBM50040959
PNG
(CHEMBL3354466)
Show SMILES Oc1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C9H7NO2/c11-8-3-1-7(2-4-8)9-5-10-6-12-9/h1-6,11H
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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Caenorhabditis elegans DDO2 incubated for 10 mins


Bioorg Med Chem Lett 25: 313-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.042
BindingDB Entry DOI: 10.7270/Q25B0442
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Caenorhabditis elegans)
BDBM50040959
PNG
(CHEMBL3354466)
Show SMILES Oc1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C9H7NO2/c11-8-3-1-7(2-4-8)9-5-10-6-12-9/h1-6,11H
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CHEBI
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Caenorhabditis elegans DAO incubated for 10 mins


Bioorg Med Chem Lett 25: 313-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.042
BindingDB Entry DOI: 10.7270/Q25B0442
More data for this
Ligand-Target Pair