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BDBM50074329 CH3-COOH::CHEMBL539::Essigsaeure::Ethylic acid::HOAc::Methanecarboxylic acid::acetic acid::acide acetique::ethoic acid

SMILES: CC(O)=O

InChI Key: InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-N

Data: 1 IC50  3 Kd  2 EC50

PDB links: 863 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 = 50074329   
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
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50074329
PNG
(CH3-COOH | CHEMBL539 | Essigsaeure | Ethylic acid ...)
Show SMILES CC(O)=O
Show InChI InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
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Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Agonist activity at human FFA2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production


Bioorg Med Chem Lett 20: 493-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.112
BindingDB Entry DOI: 10.7270/Q21V5F2Q
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50074329
PNG
(CH3-COOH | CHEMBL539 | Essigsaeure | Ethylic acid ...)
Show SMILES CC(O)=O
Show InChI InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
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PubMed
n/an/an/an/a 1.20E+4n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at human GPCR41 transfected in HEK293 cells assessed as [35S]GTPgammaS binding by scintillation counting method


J Med Chem 61: 47-61 (2018)


BindingDB Entry DOI: 10.7270/Q2JD507R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50074329
PNG
(CH3-COOH | CHEMBL539 | Essigsaeure | Ethylic acid ...)
Show SMILES CC(O)=O
Show InChI InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
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n/an/an/a 900n/an/an/an/an/a



The Albert Einstein College of Medicine of Yeshiva University

Curated by ChEMBL


Assay Description
Dissociation constant for binding to SH2 domain of Fyn protein kinase


J Med Chem 42: 784-7 (1999)


BindingDB Entry DOI: 10.7270/Q2D79F4B
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50074329
PNG
(CH3-COOH | CHEMBL539 | Essigsaeure | Ethylic acid ...)
Show SMILES CC(O)=O
Show InChI InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
PDB

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PubMed
n/an/an/a 640n/an/an/an/an/a



The Albert Einstein College of Medicine of Yeshiva University

Curated by ChEMBL


Assay Description
Dissociation constant for binding to SH2 domain of p56 lck tyrosine kinase


J Med Chem 42: 784-7 (1999)


BindingDB Entry DOI: 10.7270/Q2D79F4B
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50074329
PNG
(CH3-COOH | CHEMBL539 | Essigsaeure | Ethylic acid ...)
Show SMILES CC(O)=O
Show InChI InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
PDB

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PubMed
n/an/an/a 1.30E+3n/an/an/an/an/a



The Albert Einstein College of Medicine of Yeshiva University

Curated by ChEMBL


Assay Description
Dissociation constant for binding to SH2 domain of p56 lck tyrosine kinase


J Med Chem 42: 784-7 (1999)


BindingDB Entry DOI: 10.7270/Q2D79F4B
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50074329
PNG
(CH3-COOH | CHEMBL539 | Essigsaeure | Ethylic acid ...)
Show SMILES CC(O)=O
Show InChI InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
Reactome pathway
KEGG

UniProtKB/SwissProt
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CHEMBL
MMDB
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PubMed
n/an/an/an/a 2.50E+5n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at human GPCR43 transfected in HEK293 cells assessed as [35S]GTPgammaS binding by scintillation counting method


J Med Chem 61: 47-61 (2018)


BindingDB Entry DOI: 10.7270/Q2JD507R
More data for this
Ligand-Target Pair