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BDBM50395071 CHEMBL2163924

SMILES: Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(CNc2ccc(CCC(O)=O)cc2)c1

InChI Key: InChIKey=IGHJVOCIZJDBTG-UHFFFAOYSA-N

Data: 2 EC50

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 2 hits for monomerid = 50395071   
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 4


(Homo sapiens (Human))
BDBM50395071
PNG
(CHEMBL2163924)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(CNc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C27H31NO5S/c1-20-17-25(33-15-4-16-34(2,31)32)12-13-26(20)23-6-3-5-22(18-23)19-28-24-10-7-21(8-11-24)9-14-27(29)30/h3,5-8,10-13,17-18,28H,4,9,14-16,19H2,1-2H3,(H,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.10E+4n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at GPR120 assessed as stimulation of calcium mobilization


J Med Chem 55: 6624-8 (2012)


Article DOI: 10.1021/jm3002026
BindingDB Entry DOI: 10.7270/Q2P84D1H
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50395071
PNG
(CHEMBL2163924)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(CNc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C27H31NO5S/c1-20-17-25(33-15-4-16-34(2,31)32)12-13-26(20)23-6-3-5-22(18-23)19-28-24-10-7-21(8-11-24)9-14-27(29)30/h3,5-8,10-13,17-18,28H,4,9,14-16,19H2,1-2H3,(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 17.4n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in Flp-InTM T-RexTM HEK293 cells assessed as stimulation of calcium mobilization in presence of 0.05% BSA


J Med Chem 55: 6624-8 (2012)


Article DOI: 10.1021/jm3002026
BindingDB Entry DOI: 10.7270/Q2P84D1H
More data for this
Ligand-Target Pair