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SMILES: OC(=O)\C=C\C(=O)NCCc1ccccc1

InChI Key: InChIKey=IREPTAJLMFBTRP-VOTSOKGWSA-N

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 5 hits for monomerid = 50136861   
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
Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))
BDBM50136861
PNG
((E)-3-Phenethylcarbamoyl-acrylic acid | CHEMBL1526...)
Show SMILES OC(=O)\C=C\C(=O)NCCc1ccccc1
Show InChI InChI=1S/C12H13NO3/c14-11(6-7-12(15)16)13-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14)(H,15,16)/b7-6+
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PCBioAssay
n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50136861
PNG
((E)-3-Phenethylcarbamoyl-acrylic acid | CHEMBL1526...)
Show SMILES OC(=O)\C=C\C(=O)NCCc1ccccc1
Show InChI InChI=1S/C12H13NO3/c14-11(6-7-12(15)16)13-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14)(H,15,16)/b7-6+
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n/an/a 1.19E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q280517J
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Sus scrofa)
BDBM50136861
PNG
((E)-3-Phenethylcarbamoyl-acrylic acid | CHEMBL1526...)
Show SMILES OC(=O)\C=C\C(=O)NCCc1ccccc1
Show InChI InChI=1S/C12H13NO3/c14-11(6-7-12(15)16)13-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14)(H,15,16)/b7-6+
PDB
MMDB

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Article
PubMed
n/an/a 7.30E+4n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney aldose reductase (ALR2)


J Med Chem 46: 5619-27 (2003)


Article DOI: 10.1021/jm0205346
BindingDB Entry DOI: 10.7270/Q2C24VVS
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))
BDBM50136861
PNG
((E)-3-Phenethylcarbamoyl-acrylic acid | CHEMBL1526...)
Show SMILES OC(=O)\C=C\C(=O)NCCc1ccccc1
Show InChI InChI=1S/C12H13NO3/c14-11(6-7-12(15)16)13-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14)(H,15,16)/b7-6+
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2QZ28KG
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50136861
PNG
((E)-3-Phenethylcarbamoyl-acrylic acid | CHEMBL1526...)
Show SMILES OC(=O)\C=C\C(=O)NCCc1ccccc1
Show InChI InChI=1S/C12H13NO3/c14-11(6-7-12(15)16)13-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14)(H,15,16)/b7-6+
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PCBioAssay
n/an/an/an/a 153n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24748HT
More data for this
Ligand-Target Pair