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PubMed code 18983141

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
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
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50216551
PNG
(3-pentyl-1H-pyrazole-5-carboxylic acid | 5-butylpy...)
Show SMILES CCCCCc1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C9H14N2O2/c1-2-3-4-5-7-6-8(9(12)13)11-10-7/h6H,2-5H2,1H3,(H,10,11)(H,12,13)
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Article
PubMed
72n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity at GPR109a


J Med Chem 51: 7653-62 (2008)


Article DOI: 10.1021/jm800896z
BindingDB Entry DOI: 10.7270/Q27D2TZ5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50132140
PNG
(1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic...)
Show SMILES OC(=O)c1n[nH]c2CCCc12
Show InChI InChI=1S/C7H8N2O2/c10-7(11)6-4-2-1-3-5(4)8-9-6/h1-3H2,(H,8,9)(H,10,11)
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PubMed
156n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity at GPR109a


J Med Chem 51: 7653-62 (2008)


Article DOI: 10.1021/jm800896z
BindingDB Entry DOI: 10.7270/Q27D2TZ5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50132142
PNG
(4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid |...)
Show SMILES OC(=O)c1n[nH]c2CCCCc12
Show InChI InChI=1S/C8H10N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4H2,(H,9,10)(H,11,12)
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PubMed
3.50E+3n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity at GPR109a


J Med Chem 51: 7653-62 (2008)


Article DOI: 10.1021/jm800896z
BindingDB Entry DOI: 10.7270/Q27D2TZ5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50208138
PNG
((+)-acifran | (-)-acifran | 5-Methyl-4-oxo-5-pheny...)
Show SMILES CC1(OC(=CC1=O)C(O)=O)c1ccccc1 |c:3|
Show InChI InChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)
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n/an/a 500n/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activity at GPR109a (unknown origin) assessed as inhibition of forskolin-stimulated cAMP production


J Med Chem 51: 7653-62 (2008)


Article DOI: 10.1021/jm800896z
BindingDB Entry DOI: 10.7270/Q27D2TZ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50208138
PNG
((+)-acifran | (-)-acifran | 5-Methyl-4-oxo-5-pheny...)
Show SMILES CC1(OC(=CC1=O)C(O)=O)c1ccccc1 |c:3|
Show InChI InChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)
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PubMed
n/an/a 500n/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activity at GPR109a (unknown origin) assessed as inhibition of forskolin-stimulated cAMP production


J Med Chem 51: 7653-62 (2008)


Article DOI: 10.1021/jm800896z
BindingDB Entry DOI: 10.7270/Q27D2TZ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50208138
PNG
((+)-acifran | (-)-acifran | 5-Methyl-4-oxo-5-pheny...)
Show SMILES CC1(OC(=CC1=O)C(O)=O)c1ccccc1 |c:3|
Show InChI InChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activity at GPR109b assessed as inhibition of forskolin-stimulated cAMP production


J Med Chem 51: 7653-62 (2008)


Article DOI: 10.1021/jm800896z
BindingDB Entry DOI: 10.7270/Q27D2TZ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50241028
PNG
(1-Isopropyl-1H-benzotriazole-5-carboxylic acid | 1...)
Show SMILES CC(C)n1nnc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C10H11N3O2/c1-6(2)13-9-4-3-7(10(14)15)5-8(9)11-12-13/h3-6H,1-2H3,(H,14,15)
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PubMed
n/an/an/an/a 400n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activity at GPR109a (unknown origin) assessed as inhibition of forskolin-stimulated cAMP production


J Med Chem 51: 7653-62 (2008)


Article DOI: 10.1021/jm800896z
BindingDB Entry DOI: 10.7270/Q27D2TZ5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50208122
PNG
((+)-5-(5-chloro-thiophen-3-yl)-5-methyl-4-oxo-4,5-...)
Show SMILES CC1(OC(=CC1=O)C(O)=O)c1csc(Cl)c1 |c:3|
Show InChI InChI=1S/C10H7ClO4S/c1-10(5-2-8(11)16-4-5)7(12)3-6(15-10)9(13)14/h2-4H,1H3,(H,13,14)
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PubMed
n/an/an/an/a 200n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activity at GPR109a (unknown origin) assessed as inhibition of forskolin-stimulated cAMP production


J Med Chem 51: 7653-62 (2008)


Article DOI: 10.1021/jm800896z
BindingDB Entry DOI: 10.7270/Q27D2TZ5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50208122
PNG
((+)-5-(5-chloro-thiophen-3-yl)-5-methyl-4-oxo-4,5-...)
Show SMILES CC1(OC(=CC1=O)C(O)=O)c1csc(Cl)c1 |c:3|
Show InChI InChI=1S/C10H7ClO4S/c1-10(5-2-8(11)16-4-5)7(12)3-6(15-10)9(13)14/h2-4H,1H3,(H,13,14)
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n/an/an/an/a 1.72E+3n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activity at GPR109b assessed as inhibition of forskolin-stimulated cAMP production


J Med Chem 51: 7653-62 (2008)


Article DOI: 10.1021/jm800896z
BindingDB Entry DOI: 10.7270/Q27D2TZ5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50208137
PNG
((+)-5-(5-bromo-thiophen-3-yl)-5-methyl-4-oxo-4,5-d...)
Show SMILES CC1(OC(=CC1=O)C(O)=O)c1csc(Br)c1 |c:3|
Show InChI InChI=1S/C10H7BrO4S/c1-10(5-2-8(11)16-4-5)7(12)3-6(15-10)9(13)14/h2-4H,1H3,(H,13,14)
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n/an/an/an/a 1.47E+3n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activity at GPR109b assessed as inhibition of forskolin-stimulated cAMP production


J Med Chem 51: 7653-62 (2008)


Article DOI: 10.1021/jm800896z
BindingDB Entry DOI: 10.7270/Q27D2TZ5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50208137
PNG
((+)-5-(5-bromo-thiophen-3-yl)-5-methyl-4-oxo-4,5-d...)
Show SMILES CC1(OC(=CC1=O)C(O)=O)c1csc(Br)c1 |c:3|
Show InChI InChI=1S/C10H7BrO4S/c1-10(5-2-8(11)16-4-5)7(12)3-6(15-10)9(13)14/h2-4H,1H3,(H,13,14)
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PubMed
n/an/an/an/a 110n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activity at GPR109a (unknown origin) assessed as inhibition of forskolin-stimulated cAMP production


J Med Chem 51: 7653-62 (2008)


Article DOI: 10.1021/jm800896z
BindingDB Entry DOI: 10.7270/Q27D2TZ5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%