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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 1' and Ligand = 'BDBM50382542'   
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))
BDBM50382542
PNG
(CHEMBL2022244)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCCc3c2)c1
Show InChI InChI=1S/C27H28O3/c1-18-6-3-7-19(2)27(18)23-11-4-8-20(14-23)17-30-24-12-13-25-21(15-24)9-5-10-22(25)16-26(28)29/h3-4,6-8,11-15,22H,5,9-10,16-17H2,1-2H3,(H,28,29)
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59n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from human GPR40 receptor expressed in C...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382542
PNG
(CHEMBL2022244)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCCc3c2)c1
Show InChI InChI=1S/C27H28O3/c1-18-6-3-7-19(2)27(18)23-11-4-8-20(14-23)17-30-24-12-13-25-21(15-24)9-5-10-22(25)16-26(28)29/h3-4,6-8,11-15,22H,5,9-10,16-17H2,1-2H3,(H,28,29)
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59n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO membrane...


ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382542
PNG
(CHEMBL2022244)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCCc3c2)c1
Show InChI InChI=1S/C27H28O3/c1-18-6-3-7-19(2)27(18)23-11-4-8-20(14-23)17-30-24-12-13-25-21(15-24)9-5-10-22(25)16-26(28)29/h3-4,6-8,11-15,22H,5,9-10,16-17H2,1-2H3,(H,28,29)
KEGG

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3.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO membranes ...


ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50382542
PNG
(CHEMBL2022244)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCCc3c2)c1
Show InChI InChI=1S/C27H28O3/c1-18-6-3-7-19(2)27(18)23-11-4-8-20(14-23)17-30-24-12-13-25-21(15-24)9-5-10-22(25)16-26(28)29/h3-4,6-8,11-15,22H,5,9-10,16-17H2,1-2H3,(H,28,29)
KEGG

UniProtKB/SwissProt

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3.70E+3n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382542
PNG
(CHEMBL2022244)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCCc3c2)c1
Show InChI InChI=1S/C27H28O3/c1-18-6-3-7-19(2)27(18)23-11-4-8-20(14-23)17-30-24-12-13-25-21(15-24)9-5-10-22(25)16-26(28)29/h3-4,6-8,11-15,22H,5,9-10,16-17H2,1-2H3,(H,28,29)
PDB

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n/an/an/an/a 27n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GR40 receptor expressed in CHO cells assessed as increase in intracellular calcium concentration after 90 secs by FLIPR ass...


J Med Chem 55: 1538-52 (2012)


Article DOI: 10.1021/jm2012968
BindingDB Entry DOI: 10.7270/Q2HQ40X4
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50382542
PNG
(CHEMBL2022244)
Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCCc3c2)c1
Show InChI InChI=1S/C27H28O3/c1-18-6-3-7-19(2)27(18)23-11-4-8-20(14-23)17-30-24-12-13-25-21(15-24)9-5-10-22(25)16-26(28)29/h3-4,6-8,11-15,22H,5,9-10,16-17H2,1-2H3,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
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Article
PubMed
n/an/an/an/a 23n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium influx by FLIPR assay in presence of 0.1 % BSA


ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair