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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50010930   
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))
BDBM50543521
PNG
(CHEMBL4633698)
Show SMILES OC(=O)CCc1ccc(OCc2ccccc2C#N)cc1
Show InChI InChI=1S/C17H15NO3/c18-11-14-3-1-2-4-15(14)12-21-16-8-5-13(6-9-16)7-10-17(19)20/h1-6,8-9H,7,10,12H2,(H,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 797n/an/an/an/a



Mizoram University

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 (unknown origin)


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115263
BindingDB Entry DOI: 10.7270/Q2T43XN8
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50339460
PNG
(3-[4-(Biphenyl-3-ylmethoxy)phenyl]propanoic Acid |...)
Show SMILES OC(=O)CCc1ccc(OCc2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H20O3/c23-22(24)14-11-17-9-12-21(13-10-17)25-16-18-5-4-8-20(15-18)19-6-2-1-3-7-19/h1-10,12-13,15H,11,14,16H2,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 75n/an/an/an/a



Mizoram University

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 (unknown origin)


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115263
BindingDB Entry DOI: 10.7270/Q2T43XN8
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50543522
PNG
(CHEMBL4638816)
Show SMILES OC(=O)CCc1ccc(OCc2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H18O3/c21-20(22)13-10-15-8-11-18(12-9-15)23-14-17-6-3-5-16-4-1-2-7-19(16)17/h1-9,11-12H,10,13-14H2,(H,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 648n/an/an/an/a



Mizoram University

Curated by ChEMBL


Assay Description
Agonist activity at GPR40 (unknown origin)


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115263
BindingDB Entry DOI: 10.7270/Q2T43XN8
More data for this
Ligand-Target Pair