BindingDB logo
myBDB logout

BDBM50019112 CHEMBL3286417

SMILES: CCOC(CC(O)=O)c1ccc(OCc2ccc(C)cc2)cc1

InChI Key: InChIKey=ABIQGAQPWFFGHU-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50019112   
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))
BDBM50019112
PNG
(CHEMBL3286417)
Show SMILES CCOC(CC(O)=O)c1ccc(OCc2ccc(C)cc2)cc1
Show InChI InChI=1S/C19H22O4/c1-3-22-18(12-19(20)21)16-8-10-17(11-9-16)23-13-15-6-4-14(2)5-7-15/h4-11,18H,3,12-13H2,1-2H3,(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 370n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50019112
PNG
(CHEMBL3286417)
Show SMILES CCOC(CC(O)=O)c1ccc(OCc2ccc(C)cc2)cc1
Show InChI InChI=1S/C19H22O4/c1-3-22-18(12-19(20)21)16-8-10-17(11-9-16)23-13-15-6-4-14(2)5-7-15/h4-11,18H,3,12-13H2,1-2H3,(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 370n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level after 60 mins by FLIPR assay


Bioorg Med Chem 23: 5546-65 (2015)


Article DOI: 10.1016/j.bmc.2015.07.028
BindingDB Entry DOI: 10.7270/Q2K0762X
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50019112
PNG
(CHEMBL3286417)
Show SMILES CCOC(CC(O)=O)c1ccc(OCc2ccc(C)cc2)cc1
Show InChI InChI=1S/C19H22O4/c1-3-22-18(12-19(20)21)16-8-10-17(11-9-16)23-13-15-6-4-14(2)5-7-15/h4-11,18H,3,12-13H2,1-2H3,(H,20,21)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 290n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay


Bioorg Med Chem Lett 24: 2949-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.065
BindingDB Entry DOI: 10.7270/Q2WD424Z
More data for this
Ligand-Target Pair