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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 1' and Ligand = 'BDBM50306379'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50306379
PNG
(5-(4-(6-methyl-4-(trifluoromethyl)pyridin-2-yloxy)...)
Show SMILES Cc1cc(cc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)n1)C(F)(F)F
Show InChI InChI=1S/C17H13F3N2O3S/c1-9-6-11(17(18,19)20)8-14(21-9)25-12-4-2-10(3-5-12)7-13-15(23)22-16(24)26-13/h2-6,8,23H,7H2,1H3,(H,22,24)
PDB

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PC cid
PC sid
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Similars
Article
PubMed
n/an/an/an/a 218n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA

Bioorg Med Chem Lett 20: 1298-301 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.052
BindingDB Entry DOI: 10.7270/Q2QC03KS
More data for this
Ligand-Target Pair