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BDBM50420163 CHEMBL2058528

SMILES: CSc1ccc(cc1)-c1ccccc1COc1ccc(CCC(O)=O)cc1

InChI Key: InChIKey=DMWGPMAFDFXIEP-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 = 50420163   
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 1


(Homo sapiens (Human))
BDBM50420163
PNG
(CHEMBL2058528)
Show SMILES CSc1ccc(cc1)-c1ccccc1COc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C23H22O3S/c1-27-21-13-9-18(10-14-21)22-5-3-2-4-19(22)16-26-20-11-6-17(7-12-20)8-15-23(24)25/h2-7,9-14H,8,15-16H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.55E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at FFAR1 expressed in HEK 293 cells assessed as beta-arrestin recruitment after 30 mins by BRET assay


J Med Chem 55: 4511-5 (2012)


Article DOI: 10.1021/jm300215x
BindingDB Entry DOI: 10.7270/Q21Z45P4
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50420163
PNG
(CHEMBL2058528)
Show SMILES CSc1ccc(cc1)-c1ccccc1COc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C23H22O3S/c1-27-21-13-9-18(10-14-21)22-5-3-2-4-19(22)16-26-20-11-6-17(7-12-20)8-15-23(24)25/h2-7,9-14H,8,15-16H2,1H3,(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 234n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at GPR120 expressed in HEK 293 cells assessed as beta-arrestin recruitment after 5 mins by BRET assay


J Med Chem 55: 4511-5 (2012)


Article DOI: 10.1021/jm300215x
BindingDB Entry DOI: 10.7270/Q21Z45P4
More data for this
Ligand-Target Pair