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SMILES: CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(O[C@@H]2CC[C@H](C)CC2)cc1

InChI Key: InChIKey=JSOWDDQPXGRIEY-KAOJSAQUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50277728   
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))		BDBM50277728
PNG
((3R,4R)-3-(4-((cis)-4-methylcyclohexyloxy)phenyl)-...)
Show SMILES CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(O[C@@H]2CC[C@H](C)CC2)cc1 |r,wU:5.5,wD:4.18,22.23,25.27,(-1.08,-.84,;-2.42,-.08,;-2.42,1.46,;-3.76,2.23,;-3.76,3.78,;-5.12,4.56,;-5.12,6.1,;-3.79,6.88,;-6.46,6.86,;-6.45,3.77,;-7.79,4.53,;-9.11,3.76,;-9.12,2.22,;-7.79,1.45,;-6.44,2.21,;-5.1,1.45,;-5.1,-.09,;-2.44,4.55,;-1.1,3.78,;.23,4.56,;.22,6.1,;1.55,6.87,;2.89,6.11,;4.2,6.88,;5.54,6.11,;5.55,4.57,;6.88,3.8,;4.21,3.8,;2.88,4.56,;-1.12,6.86,;-2.45,6.08,)|
Show InChI InChI=1S/C26H31NO4/c1-3-16-27-24(23(26(29)30)21-6-4-5-7-22(21)25(27)28)18-10-14-20(15-11-18)31-19-12-8-17(2)9-13-19/h4-7,10-11,14-15,17,19,23-24H,3,8-9,12-13,16H2,1-2H3,(H,29,30)/t17-,19+,23-,24+/m1/s1
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PubMed
n/an/a 10n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay

Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
More data for this
Ligand-Target Pair