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BDBM50244070 CHEMBL4104738

SMILES: COc1cccc(c1)N1CCC(CC1)Oc1ccc(cc1)N1N=C([C@@H](C)[C@@H]1CC(O)=O)C(F)(F)F

InChI Key: InChIKey=XRWKURCYXQDQTO-AOMKIAJQSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50244070   
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))		BDBM50244070
PNG
(CHEMBL4104738)
Show SMILES COc1cccc(c1)N1CCC(CC1)Oc1ccc(cc1)N1N=C([C@@H](C)[C@@H]1CC(O)=O)C(F)(F)F |r,c:25|
Show InChI InChI=1S/C25H28F3N3O4/c1-16-22(15-23(32)33)31(29-24(16)25(26,27)28)17-6-8-19(9-7-17)35-20-10-12-30(13-11-20)18-4-3-5-21(14-18)34-2/h3-9,14,16,20,22H,10-13,15H2,1-2H3,(H,32,33)/t16-,22-/m0/s1
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Similars
Article
PubMed
n/an/an/an/a 620n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair