BDBM50386790 CHEMBL1829174::CHEMBL2047159::TAK-875

SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1

InChI Key InChIKey=BZCALJIHZVNMGJ-HSZRJFAPSA-N

Data  6 KI  4 IC50  2 Kd  45 EC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 57 hits for monomerid = 50386790   

TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataKi:  7.70nMAssay Description:Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataKi:  29nMAssay Description:Displacement of 3-(2-Fluoro-4-((2'-methyl-4'-(2-(2-((7-nitrobenzo[c][1,2,5]-oxadiazol-4-yl)amino)ethoxy)ethoxy)-[1,1'-biphenyl]-3-yl)-methoxy)phenyl)...More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataKi:  38nMAssay 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...More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataKi:  38nMAssay 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 cells a...More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Rattus norvegicus)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataKi:  140nMAssay 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 cells aft...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFree fatty acid receptor 1(Rattus norvegicus)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataKi:  140nMAssay 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 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  58nMAssay Description:Agonist activity at FFA1 receptor (unknown origin) expressed in human 132N1 cells measured for 90 secs by Fura-2 AM dye based calcium mobilization as...More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  25.7nMAssay Description:Agonist activity at human GPR40 expressed in Flp-InTM T-RexTM HEK293 cells assessed as stimulation of calcium mobilization in presence of 0.05% BSAMore data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  21.9nMAssay Description:Agonist activity at human GPR40 expressed in Flp-InTM T-RexTM HEK293 cells assessed as stimulation of calcium mobilizationMore data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  26nMAssay Description:Agonist activity at human GPR40 expressed in Flp-InTM T-RexTM HEK293 cells assessed as stimulation of calcium mobilizationMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Rattus norvegicus)
Cadila Healthcare

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  2.70E+4nMAssay Description:Agonist activity at GPR40 in rat RINm cells assessed as increase glucose-stimulated insulin secretion after 1 hr by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  1.90nMAssay Description:Agonist activity at human GPR40 expressed in HEK293 cells measured after 18 to 20 hrs by beta-gal based luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  14.1nMAssay Description:Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometryMore data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Rattus norvegicus)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  93nMAssay Description:Agonist activity at GPR40 in rat INS-1 cells assessed as glucose-stimulated insulin secretionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  42nMAssay Description:Agonist activity at human GPR40 transfected in CHO cells by calcium flux assayMore data for this Ligand-Target Pair
TargetFree fatty acid receptor 4(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human GPR120 expressed in CHO cells assessed as calcium influx after 30 mins by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFree fatty acid receptor 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human GPR43 expressed in 293 cells assessed as cAMP accumulation after 30 mins by Alphascreen methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFree fatty acid receptor 3(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human GPR41 expressed in 293 cells assessed as cAMP accumulation after 30 mins by Alphascreen methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  14nMAssay Description:Agonist activity at human GPR40 expressed in CHO cells assessed as calcium influx by FLIPR assay in presence of 0.1 % BSAMore data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  16nMAssay Description:Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the ...More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  27nMAssay Description:Agonist activity at human GPR40 expressed in CHO cells assessed as increase in intracellular Ca2+ flux by Fluo 4-AM dye based assayMore data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  34nMAssay Description:Agonist activity at human FFAR1 expressed in CHO cells assessed as increase in intracellular calcium level by Fluo 4-AM dye-based FLIPR assayMore data for this Ligand-Target Pair
TargetFree fatty acid receptor 4(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human FFAR4 expressed in CHO cells assessed as beta-arrestin recruitment after 90 mins by luminescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  14nMAssay Description:Agonist activity at human GPR40 expressed in CHO cells after 24 hrs by NFAT-luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  33nMAssay Description:Agonist activity at human FFA1 receptor expressed in CHO cells assessed as increase in intracellular calcium levels measured for 90 secs by Fluo 4-AM...More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  5.10E+3nMAssay Description:Transactivation of human GPR40 expressed in HEK293 cells after 24 hrs by Elk-Gal4 luciferase reporter assayMore data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  32nMAssay Description:Agonist activity at human FFA1 expressed in CHO cells assessed as increase in intracellular Ca2+ flux by Fluo-4 dye based FLIPR assayMore data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  39nMAssay Description:Agonist activity at recombinant human GPR40 expressed in HEK293 cells assessed as increase in intracellular calcium flux measured for 120 secs by cal...More data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataIC50:  2.28E+3nMAssay Description:Inhibition of human OATP1BAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataIC50:  2.41E+3nMAssay Description:Inhibition of human MRP2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataIC50:  1.12E+4nMAssay Description:Inhibition of human OATP1B3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  80nMAssay Description:Agonist activity at human GPR40 expressed in human HEK293 cells assessed as increase in intracellular calcium flux after 10 mins by fluorescence assa...More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  14nMAssay Description:Agonist activity at FFA1 (unknown origin)More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  45nMAssay Description:Agonist activity at human FFA1 expressed in CHO cells assessed as increase in intracellular Ca2+ flux after 1 hr by Fluo4-AM dye based FLIPR assayMore data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  31nMAssay Description:Agonist activity at human GPR40 expressed in HEK293 cells assessed as induction of intracellular calcium mobilization by Fluo-8 dye based FLIPR assayMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Rattus norvegicus)
Cadila Healthcare

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  39nMAssay Description:Agonist activity at rat GPR40 expressed in HEK293 cells assessed as induction of intracellular calcium mobilization by Fluo-8 dye based FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  37nMAssay Description:Agonist activity at FFA1 receptor (unknown origin) stably expressed in CHO cells assessed as increase in calcium flux by Fluo4-AM based FLIPR assayMore data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  80nMAssay Description:Agonist activity at human FFA1 receptor expressed in HEK293 cells assessed as increase in intracellular Ca2+ flux by Fluo-4 dye based assayMore data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  45nMAssay Description:Agonist activity at human FFA1 receptor expressed in CHO cells by Fluo 4-AM dye based FLIPR assayMore data for this Ligand-Target Pair
TargetSodium/bile acid cotransporter(Homo sapiens (Human))
Southwest Jiaotong University

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of NTCP in human hepatocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  53nMAssay Description:Agonist activity at GPR40 (unknown origin)More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  160nMAssay Description:Agonist activity at human recombinant full length GPR40 overexpressed in human HEK293 cells assessed as increase in intracellular calcium level measu...More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  12nMAssay Description:Agonist activity at human recombinant full-length Prolink-tagged GPR40 fused with EA-tagged beta-arrestin expressed in human HEK293 cells assessed as...More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Mus musculus)
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  8.60nMAssay Description:Agonist activity at Prolink-tagged mouse GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arresti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelanocortin receptor 4(Rattus norvegicus)
Cadila Healthcare

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  36nMAssay Description:Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  0.350nMAssay Description:Agonist activity at human recombinant full length GPR40 overexpressed in human HEK293 cells assessed as increase in inositol phosphate accumulation i...More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataKd:  4.5nMAssay Description:Displacement of [3H]-(S)-2-(6-((2',6'-dimethyl-4'-(3-(methylsulfonyl)propoxy)biphenyl-3-yl)methoxy)-2,3-dihydrobenzofuran-3-yl)acetic acid from human...More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50: >1.00E+3nMAssay Description:Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assayMore data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataKd:  12nMAssay Description:Binding affinity to human GPR40 expressed in CHO cells by LC-MS analysisMore data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50386790(CHEMBL1829174 | CHEMBL2047159 | TAK-875)
Affinity DataEC50:  53nMAssay Description:Agonist activity at FFAR1 (unknown origin)More data for this Ligand-Target Pair
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