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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 2' and Ligand = 'BDBM50450263'   
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 2


(Homo sapiens (Human))
BDBM50450263
PNG
(CHEMBL4176503)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1Cl)C(O)=O |r|
Show InChI InChI=1S/C22H19ClN2O4S/c1-12-19(13(2)29-24-12)14-7-9-15(10-8-14)20(26)25-18(22(27)28)11-30-21(25)16-5-3-4-6-17(16)23/h3-10,18,21H,11H2,1-2H3,(H,27,28)/t18-,21+/m0/s1
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204n/an/an/an/an/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Displacement of [3H]-GLPG0974 from human FFA2 expressed in Flp-InT-REx 293 cell membranes after 2 hrs by liquid scintillation spectrometry


J Med Chem 61: 9534-9550 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00855
BindingDB Entry DOI: 10.7270/Q28S4SFW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450263
PNG
(CHEMBL4176503)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1Cl)C(O)=O |r|
Show InChI InChI=1S/C22H19ClN2O4S/c1-12-19(13(2)29-24-12)14-7-9-15(10-8-14)20(26)25-18(22(27)28)11-30-21(25)16-5-3-4-6-17(16)23/h3-10,18,21H,11H2,1-2H3,(H,27,28)/t18-,21+/m0/s1
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n/an/an/an/a 794n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity to human FFA2R expressed in HEK293T cells assessed as induction beta-arrestin-2 recruitment after 10 mins by BRET assay


J Med Chem 61: 9534-9550 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00855
BindingDB Entry DOI: 10.7270/Q28S4SFW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Free fatty acid receptor 2


(Mus musculus)
BDBM50450263
PNG
(CHEMBL4176503)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1Cl)C(O)=O |r|
Show InChI InChI=1S/C22H19ClN2O4S/c1-12-19(13(2)29-24-12)14-7-9-15(10-8-14)20(26)25-18(22(27)28)11-30-21(25)16-5-3-4-6-17(16)23/h3-10,18,21H,11H2,1-2H3,(H,27,28)/t18-,21+/m0/s1
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n/an/an/an/a 5.01E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at FFA2R in mouse mature adipocytes assessed as inhibition of isoproterenol-induced glycerol production


J Med Chem 61: 9534-9550 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00855
BindingDB Entry DOI: 10.7270/Q28S4SFW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50450263
PNG
(CHEMBL4176503)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1Cl)C(O)=O |r|
Show InChI InChI=1S/C22H19ClN2O4S/c1-12-19(13(2)29-24-12)14-7-9-15(10-8-14)20(26)25-18(22(27)28)11-30-21(25)16-5-3-4-6-17(16)23/h3-10,18,21H,11H2,1-2H3,(H,27,28)/t18-,21+/m0/s1
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n/an/an/an/a 78n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA2R expressed in Flp-InT-REx 293 cells assessed as reduction of forskolin-induced cAMP production after 30 mins by TR-FRE...


J Med Chem 61: 9534-9550 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00855
BindingDB Entry DOI: 10.7270/Q28S4SFW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Free fatty acid receptor 2


(Mus musculus)
BDBM50450263
PNG
(CHEMBL4176503)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1Cl)C(O)=O |r|
Show InChI InChI=1S/C22H19ClN2O4S/c1-12-19(13(2)29-24-12)14-7-9-15(10-8-14)20(26)25-18(22(27)28)11-30-21(25)16-5-3-4-6-17(16)23/h3-10,18,21H,11H2,1-2H3,(H,27,28)/t18-,21+/m0/s1
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n/an/an/an/a 363n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at mouse FFA2R expressed in Flp-InT-REx 293 cells assessed as reduction of forskolin-induced cAMP production after 30 mins by TR-FRE...


J Med Chem 61: 9534-9550 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00855
BindingDB Entry DOI: 10.7270/Q28S4SFW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)