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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 1' and Ligand = 'BDBM50267056'   
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


(Mus musculus)
BDBM50267056
PNG
(CHEMBL4068606)
Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cn1 |r|
Show InChI InChI=1S/C18H18Cl2N2O3/c19-13-4-3-12(16(20)8-13)11-25-15-5-6-17(21-10-15)22-7-1-2-14(22)9-18(23)24/h3-6,8,10,14H,1-2,7,9,11H2,(H,23,24)/t14-/m0/s1
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PC sid
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Article
PubMed
n/an/an/an/a>3.30E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at mouse 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))
BDBM50267056
PNG
(CHEMBL4068606)
Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cn1 |r|
Show InChI InChI=1S/C18H18Cl2N2O3/c19-13-4-3-12(16(20)8-13)11-25-15-5-6-17(21-10-15)22-7-1-2-14(22)9-18(23)24/h3-6,8,10,14H,1-2,7,9,11H2,(H,23,24)/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 220n/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