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SMILES: Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(c1)[C@H]1COc2cc3[C@H](CC(O)=O)COc3cc2O1

InChI Key: InChIKey=JKYVMOIZUKBTDA-SKCUWOTOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50433744   
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))		BDBM50433744
PNG
(CHEMBL2381294)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(c1)[C@H]1COc2cc3[C@H](CC(O)=O)COc3cc2O1 |r|
Show InChI InChI=1S/C30H32O8S/c1-18-10-23(35-8-5-9-39(3,33)34)11-19(2)30(18)21-7-4-6-20(12-21)28-17-37-26-14-24-22(13-29(31)32)16-36-25(24)15-27(26)38-28/h4,6-7,10-12,14-15,22,28H,5,8-9,13,16-17H2,1-3H3,(H,31,32)/t22-,28-/m1/s1
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Article
PubMed
n/an/an/an/a 282n/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