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BDBM50267022 CHEMBL4072491

SMILES: C[C@H]1CC[C@@H](CC(O)=O)N1c1ccc(Cc2ccccc2C)cc1

InChI Key: InChIKey=WUXYVOKLSYNZBV-JXFKEZNVSA-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 = 50267022   
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


(Mus musculus)
BDBM50267022
PNG
(CHEMBL4072491)
Show SMILES C[C@H]1CC[C@@H](CC(O)=O)N1c1ccc(Cc2ccccc2C)cc1 |r|
Show InChI InChI=1S/C21H25NO2/c1-15-5-3-4-6-18(15)13-17-8-11-19(12-9-17)22-16(2)7-10-20(22)14-21(23)24/h3-6,8-9,11-12,16,20H,7,10,13-14H2,1-2H3,(H,23,24)/t16-,20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay


J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50267022
PNG
(CHEMBL4072491)
Show SMILES C[C@H]1CC[C@@H](CC(O)=O)N1c1ccc(Cc2ccccc2C)cc1 |r|
Show InChI InChI=1S/C21H25NO2/c1-15-5-3-4-6-18(15)13-17-8-11-19(12-9-17)22-16(2)7-10-20(22)14-21(23)24/h3-6,8-9,11-12,16,20H,7,10,13-14H2,1-2H3,(H,23,24)/t16-,20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.20E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay


J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair