BindingDB logo
myBDB logout

BDBM50201694 CHEMBL3914686

SMILES: CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCOCC3)c2)cc1

InChI Key: InChIKey=BAOQMYKUQLKZDR-XUESUEPENA-N

Data: 1 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 1 hit for monomerid = 50201694   
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))
BDBM50201694
PNG
(CHEMBL3914686)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCOCC3)c2)cc1
Show InChI InChI=1/C30H33NO4S/c1-2-4-27(18-30(32)33)26-7-9-29(10-8-26)35-21-24-6-3-5-23(17-24)19-31(20-25-13-16-36-22-25)28-11-14-34-15-12-28/h3,5-10,13,16-17,22,27-28H,11-12,14-15,18-21H2,1H3,(H,32,33)/t27-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 7.70n/an/an/an/a



Cadila Healthcare Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in HEK293 cells measured after 18 to 20 hrs by beta-gal based luciferase reporter gene assay


ACS Med Chem Lett 7: 1134-1138 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00331
BindingDB Entry DOI: 10.7270/Q2K35WN3
More data for this
Ligand-Target Pair