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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 1' and Ligand = 'BDBM50267049'   
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))
BDBM50267049
PNG
(CHEMBL4095599)
Show SMILES C[C@H]1CCN([C@@H]1CC(O)=O)c1ccc(Cc2ccccc2C)cc1 |r|
Show InChI InChI=1S/C21H25NO2/c1-15-5-3-4-6-18(15)13-17-7-9-19(10-8-17)22-12-11-16(2)20(22)14-21(23)24/h3-10,16,20H,11-14H2,1-2H3,(H,23,24)/t16-,20+/m0/s1
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Article
PubMed
310n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay


J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50267049
PNG
(CHEMBL4095599)
Show SMILES C[C@H]1CCN([C@@H]1CC(O)=O)c1ccc(Cc2ccccc2C)cc1 |r|
Show InChI InChI=1S/C21H25NO2/c1-15-5-3-4-6-18(15)13-17-7-9-19(10-8-17)22-12-11-16(2)20(22)14-21(23)24/h3-10,16,20H,11-14H2,1-2H3,(H,23,24)/t16-,20+/m0/s1
PDB

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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 120n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay


J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Mus musculus)
BDBM50267049
PNG
(CHEMBL4095599)
Show SMILES C[C@H]1CCN([C@@H]1CC(O)=O)c1ccc(Cc2ccccc2C)cc1 |r|
Show InChI InChI=1S/C21H25NO2/c1-15-5-3-4-6-18(15)13-17-7-9-19(10-8-17)22-12-11-16(2)20(22)14-21(23)24/h3-10,16,20H,11-14H2,1-2H3,(H,23,24)/t16-,20+/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 1.90E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay


J Med Chem 60: 1417-1431 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5
More data for this
Ligand-Target Pair