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BDBM50433738 CHEMBL2381300

SMILES: CS(=O)(=O)CCCOc1ccc(c(Cl)c1)-c1cccc(c1)[C@H]1COc2cc3[C@H](CC(O)=O)COc3cc2O1

InChI Key: InChIKey=XWTMRQLTATXZCG-CGLHKGAZNA-N

Data: 1 EC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50433738   
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))
BDBM50433738
PNG
(CHEMBL2381300)
Show SMILES CS(=O)(=O)CCCOc1ccc(c(Cl)c1)-c1cccc(c1)[C@H]1COc2cc3[C@H](CC(O)=O)COc3cc2O1
Show InChI InChI=1/C28H27ClO8S/c1-38(32,33)9-3-8-34-20-6-7-21(23(29)12-20)17-4-2-5-18(10-17)27-16-36-25-13-22-19(11-28(30)31)15-35-24(22)14-26(25)37-27/h2,4-7,10,12-14,19,27H,3,8-9,11,15-16H2,1H3,(H,30,31)/t19-,27-/s2
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 145n/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 2920-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.060
BindingDB Entry DOI: 10.7270/Q26M3878
More data for this
Ligand-Target Pair