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CHEMBL1829174 TAK-875

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

InChI Key: InChIKey=BZCALJIHZVNMGJ-QWVACARCNA-N

Data: 5 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match
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Other Databases links: PubChem cid PubChem sid ZINC 0

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50386790    Zinc 0: unavailable per Zinc DB. Zinc 1: purchasable, 2 weeks to supply. Zinc 2: made on demand. Zinc 4: potentially available
Target
(Institution)
LigandTarget
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
G-protein Coupled Receptor 40


(Homo sapiens)
CHEMBL1829174
PNG
(TAK-875)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1
PDB

Reactome pathway
IUPHAR‑DB
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 16n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay 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 ...


Citation and Details
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 40


(Homo sapiens)
CHEMBL1829174
PNG
(TAK-875)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1
PDB

Reactome pathway
IUPHAR‑DB
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 25.7n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay 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% BSA


Citation and Details
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 40


(Homo sapiens)
CHEMBL1829174
PNG
(TAK-875)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1
PDB

Reactome pathway
IUPHAR‑DB
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 14.13n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 40


(Homo sapiens)
CHEMBL1829174
PNG
(TAK-875)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1
PDB

Reactome pathway
IUPHAR‑DB
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 26n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in Flp-InTM T-RexTM HEK293 cells assessed as stimulation of calcium mobilization


Citation and Details
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 40


(Homo sapiens)
CHEMBL1829174
PNG
(TAK-875)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1
PDB

Reactome pathway
IUPHAR‑DB
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 21.88n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in Flp-InTM T-RexTM HEK293 cells assessed as stimulation of calcium mobilization


Citation and Details
More data for this
Ligand-Target Pair