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Compile Data Set for Download or QSAR

Found 108 hits with Last Name = 'heek' and Initial = 'mv'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50337038
PNG
(5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyra...)
Show SMILES FC(F)c1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1
Show InChI InChI=1S/C14H14F2N2O3/c15-11(16)12-17-13(20)10-8(3-1-2-7-4-5-7)6-9(19)21-14(10)18-12/h6-7,11H,1-5H2,(H,17,18,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50337038
PNG
(5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyra...)
Show SMILES FC(F)c1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1
Show InChI InChI=1S/C14H14F2N2O3/c15-11(16)12-17-13(20)10-8(3-1-2-7-4-5-7)6-9(19)21-14(10)18-12/h6-7,11H,1-5H2,(H,17,18,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50337038
PNG
(5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyra...)
Show SMILES FC(F)c1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1
Show InChI InChI=1S/C14H14F2N2O3/c15-11(16)12-17-13(20)10-8(3-1-2-7-4-5-7)6-9(19)21-14(10)18-12/h6-7,11H,1-5H2,(H,17,18,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50337038
PNG
(5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyra...)
Show SMILES FC(F)c1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1
Show InChI InChI=1S/C14H14F2N2O3/c15-11(16)12-17-13(20)10-8(3-1-2-7-4-5-7)6-9(19)21-14(10)18-12/h6-7,11H,1-5H2,(H,17,18,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
HM74 nicotinic acid GPCR


(Homo sapiens (Human))
BDBM50337024
PNG
(2-(difluoromethyl)-5-(3-(1-methylcyclopropyl)propy...)
Show SMILES CC1(CCCc2cc(=O)oc3nc([nH]c(=O)c23)C(F)F)CC1
Show InChI InChI=1S/C15H16F2N2O3/c1-15(5-6-15)4-2-3-8-7-9(20)22-14-10(8)13(21)18-12(19-14)11(16)17/h7,11H,2-6H2,1H3,(H,18,19,21)
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n/an/an/an/a 1.12E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
HM74 nicotinic acid GPCR


(Homo sapiens (Human))
BDBM50337038
PNG
(5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyra...)
Show SMILES FC(F)c1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1
Show InChI InChI=1S/C14H14F2N2O3/c15-11(16)12-17-13(20)10-8(3-1-2-7-4-5-7)6-9(19)21-14(10)18-12/h6-7,11H,1-5H2,(H,17,18,20)
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n/an/an/an/a 300n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
HM74 nicotinic acid GPCR


(Homo sapiens (Human))
BDBM23515
PNG
(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)
Show SMILES OC(=O)c1cccnc1
Show InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
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n/an/an/an/a>1.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50336998
PNG
(2-(difluoromethyl)-5-(3-(1-(hydroxymethyl)cyclopro...)
Show SMILES OCC1(CCCc2cc(=O)oc3nc([nH]c(=O)c23)C(F)F)CC1
Show InChI InChI=1S/C15H16F2N2O4/c16-11(17)12-18-13(22)10-8(6-9(21)23-14(10)19-12)2-1-3-15(7-20)4-5-15/h6,11,20H,1-5,7H2,(H,18,19,22)
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n/an/an/an/a>1.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50336999
PNG
(5-(cyclopropylmethyl)-2-(difluoromethyl)-3H-pyrano...)
Show SMILES FC(F)c1nc2oc(=O)cc(CC3CC3)c2c(=O)[nH]1
Show InChI InChI=1S/C12H10F2N2O3/c13-9(14)10-15-11(18)8-6(3-5-1-2-5)4-7(17)19-12(8)16-10/h4-5,9H,1-3H2,(H,15,16,18)
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n/an/an/an/a>1.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337000
PNG
(5-cyclopropyl-2-(difluoromethyl)-3H-pyrano[2,3-d]p...)
Show SMILES FC(F)c1nc2oc(=O)cc(C3CC3)c2c(=O)[nH]1
Show InChI InChI=1S/C11H8F2N2O3/c12-8(13)9-14-10(17)7-5(4-1-2-4)3-6(16)18-11(7)15-9/h3-4,8H,1-2H2,(H,14,15,17)
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n/an/an/an/a>1.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337001
PNG
(5-cyclobutyl-2-(difluoromethyl)-3H-pyrano[2,3-d]py...)
Show SMILES FC(F)c1nc2oc(=O)cc(C3CCC3)c2c(=O)[nH]1
Show InChI InChI=1S/C12H10F2N2O3/c13-9(14)10-15-11(18)8-6(5-2-1-3-5)4-7(17)19-12(8)16-10/h4-5,9H,1-3H2,(H,15,16,18)
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n/an/an/an/a>1.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337002
PNG
(2-(difluoro(phenyl)methyl)-5-ethyl-3H-pyrano[2,3-d...)
Show SMILES CCc1cc(=O)oc2nc([nH]c(=O)c12)C(F)(F)c1ccccc1
Show InChI InChI=1S/C16H12F2N2O3/c1-2-9-8-11(21)23-14-12(9)13(22)19-15(20-14)16(17,18)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,19,20,22)
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n/an/an/an/a>1.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337003
PNG
(5-ethyl-2-(phenylsulfonylmethyl)-3H-pyrano[2,3-d]p...)
Show SMILES CCc1cc(=O)oc2nc(CS(=O)(=O)c3ccccc3)[nH]c(=O)c12
Show InChI InChI=1S/C16H14N2O5S/c1-2-10-8-13(19)23-16-14(10)15(20)17-12(18-16)9-24(21,22)11-6-4-3-5-7-11/h3-8H,2,9H2,1H3,(H,17,18,20)
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337004
PNG
(5-ethyl-2-(piperidin-1-ylmethyl)-3H-pyrano[2,3-d]p...)
Show SMILES CCc1cc(=O)oc2nc(CN3CCCCC3)[nH]c(=O)c12
Show InChI InChI=1S/C15H19N3O3/c1-2-10-8-12(19)21-15-13(10)14(20)16-11(17-15)9-18-6-4-3-5-7-18/h8H,2-7,9H2,1H3,(H,16,17,20)
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337005
PNG
(5-ethyl-4,7-dioxo-4,7-dihydro-3H-pyrano[2,3-d]pyri...)
Show SMILES CCc1cc(=O)oc2nc([nH]c(=O)c12)C#N
Show InChI InChI=1S/C10H7N3O3/c1-2-5-3-7(14)16-10-8(5)9(15)12-6(4-11)13-10/h3H,2H2,1H3,(H,12,13,15)
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n/an/an/an/a>1.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337006
PNG
(CHEMBL1672763 | methyl 5-ethyl-4,7-dioxo-4,7-dihyd...)
Show SMILES CCc1cc(=O)oc2nc([nH]c(=O)c12)C(=O)OC
Show InChI InChI=1S/C11H10N2O5/c1-3-5-4-6(14)18-10-7(5)9(15)12-8(13-10)11(16)17-2/h4H,3H2,1-2H3,(H,12,13,15)
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337007
PNG
(5-ethyl-2-(4-(trifluoromethyl)phenyl)-3H-pyrano[2,...)
Show SMILES CCc1cc(=O)oc2nc([nH]c(=O)c12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H11F3N2O3/c1-2-8-7-11(22)24-15-12(8)14(23)20-13(21-15)9-3-5-10(6-4-9)16(17,18)19/h3-7H,2H2,1H3,(H,20,21,23)
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337008
PNG
(5-ethyl-2-(prop-1-en-2-yl)-3H-pyrano[2,3-d]pyrimid...)
Show SMILES CCc1cc(=O)oc2nc([nH]c(=O)c12)C(C)=C
Show InChI InChI=1S/C12H12N2O3/c1-4-7-5-8(15)17-12-9(7)11(16)13-10(14-12)6(2)3/h5H,2,4H2,1,3H3,(H,13,14,16)
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337009
PNG
(2-cyclopropyl-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4...)
Show SMILES CCc1cc(=O)oc2nc([nH]c(=O)c12)C1CC1
Show InChI InChI=1S/C12H12N2O3/c1-2-6-5-8(15)17-12-9(6)11(16)13-10(14-12)7-3-4-7/h5,7H,2-4H2,1H3,(H,13,14,16)
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337010
PNG
(5-ethyl-2-phenethyl-3H-pyrano[2,3-d]pyrimidine-4,7...)
Show SMILES CCc1cc(=O)oc2nc(CCc3ccccc3)[nH]c(=O)c12
Show InChI InChI=1S/C17H16N2O3/c1-2-12-10-14(20)22-17-15(12)16(21)18-13(19-17)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,18,19,21)
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337011
PNG
(2-butyl-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dio...)
Show SMILES CCCCc1nc2oc(=O)cc(CC)c2c(=O)[nH]1
Show InChI InChI=1S/C13H16N2O3/c1-3-5-6-9-14-12(17)11-8(4-2)7-10(16)18-13(11)15-9/h7H,3-6H2,1-2H3,(H,14,15,17)
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n/an/an/an/a>1.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337012
PNG
(5-ethyl-2-isopropyl-3H-pyrano[2,3-d]pyrimidine-4,7...)
Show SMILES CCc1cc(=O)oc2nc([nH]c(=O)c12)C(C)C
Show InChI InChI=1S/C12H14N2O3/c1-4-7-5-8(15)17-12-9(7)11(16)13-10(14-12)6(2)3/h5-6H,4H2,1-3H3,(H,13,14,16)
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n/an/an/an/a>1.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337013
PNG
(5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione | CHE...)
Show SMILES CCc1cc(=O)oc2nc[nH]c(=O)c12
Show InChI InChI=1S/C9H8N2O3/c1-2-5-3-6(12)14-9-7(5)8(13)10-4-11-9/h3-4H,2H2,1H3,(H,10,11,13)
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n/an/an/an/a>1.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337014
PNG
(2-(difluoromethyl)-5-methyl-3H-pyrano[2,3-d]pyrimi...)
Show SMILES Cc1cc(=O)oc2nc([nH]c(=O)c12)C(F)F
Show InChI InChI=1S/C9H6F2N2O3/c1-3-2-4(14)16-9-5(3)8(15)12-7(13-9)6(10)11/h2,6H,1H3,(H,12,13,15)
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n/an/an/an/a 6.58E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337015
PNG
(5-ethyl-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidi...)
Show SMILES CCc1cc(=O)oc2nc([nH]c(=O)c12)C(C)F
Show InChI InChI=1S/C11H11FN2O3/c1-3-6-4-7(15)17-11-8(6)10(16)13-9(14-11)5(2)12/h4-5H,3H2,1-2H3,(H,13,14,16)
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n/an/an/an/a 6.07E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337016
PNG
(2-(difluoromethyl)-5-propyl-3H-pyrano[2,3-d]pyrimi...)
Show SMILES CCCc1cc(=O)oc2nc([nH]c(=O)c12)C(F)F
Show InChI InChI=1S/C11H10F2N2O3/c1-2-3-5-4-6(16)18-11-7(5)10(17)14-9(15-11)8(12)13/h4,8H,2-3H2,1H3,(H,14,15,17)
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n/an/an/an/a 4.44E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337017
PNG
(5-(2-cyclohexylethyl)-2-(difluoromethyl)-3H-pyrano...)
Show SMILES FC(F)c1nc2oc(=O)cc(CCC3CCCCC3)c2c(=O)[nH]1
Show InChI InChI=1S/C16H18F2N2O3/c17-13(18)14-19-15(22)12-10(8-11(21)23-16(12)20-14)7-6-9-4-2-1-3-5-9/h8-9,13H,1-7H2,(H,19,20,22)
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n/an/an/an/a 4.15E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337018
PNG
(5-ethyl-2-(methoxymethyl)-3H-pyrano[2,3-d]pyrimidi...)
Show SMILES CCc1cc(=O)oc2nc(COC)[nH]c(=O)c12
Show InChI InChI=1S/C11H12N2O4/c1-3-6-4-8(14)17-11-9(6)10(15)12-7(13-11)5-16-2/h4H,3,5H2,1-2H3,(H,12,13,15)
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n/an/an/an/a 3.39E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337019
PNG
(2-(difluoromethyl)-5-(3-(1-phenylcyclopropyl)propy...)
Show SMILES FC(F)c1nc2oc(=O)cc(CCCC3(CC3)c3ccccc3)c2c(=O)[nH]1
Show InChI InChI=1S/C20H18F2N2O3/c21-16(22)17-23-18(26)15-12(11-14(25)27-19(15)24-17)5-4-8-20(9-10-20)13-6-2-1-3-7-13/h1-3,6-7,11,16H,4-5,8-10H2,(H,23,24,26)
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n/an/an/an/a 3.12E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337020
PNG
(5-ethyl-2-(phenoxymethyl)-3H-pyrano[2,3-d]pyrimidi...)
Show SMILES CCc1cc(=O)oc2nc(COc3ccccc3)[nH]c(=O)c12
Show InChI InChI=1S/C16H14N2O4/c1-2-10-8-13(19)22-16-14(10)15(20)17-12(18-16)9-21-11-6-4-3-5-7-11/h3-8H,2,9H2,1H3,(H,17,18,20)
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n/an/an/an/a 3.11E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337021
PNG
(2-(chlorofluoromethyl)-5-ethyl-3H-pyrano[2,3-d]pyr...)
Show SMILES CCc1cc(=O)oc2nc([nH]c(=O)c12)C(F)Cl
Show InChI InChI=1S/C10H8ClFN2O3/c1-2-4-3-5(15)17-10-6(4)9(16)13-8(14-10)7(11)12/h3,7H,2H2,1H3,(H,13,14,16)
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n/an/an/an/a 2.71E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337022
PNG
(5-(2-cyclopentylethyl)-2-(difluoromethyl)-3H-pyran...)
Show SMILES FC(F)c1nc2oc(=O)cc(CCC3CCCC3)c2c(=O)[nH]1
Show InChI InChI=1S/C15H16F2N2O3/c16-12(17)13-18-14(21)11-9(6-5-8-3-1-2-4-8)7-10(20)22-15(11)19-13/h7-8,12H,1-6H2,(H,18,19,21)
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n/an/an/an/a 1.40E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337023
PNG
(5-ethyl-2-(trifluoromethyl)-3H-pyrano[2,3-d]pyrimi...)
Show SMILES CCc1cc(=O)oc2nc([nH]c(=O)c12)C(F)(F)F
Show InChI InChI=1S/C10H7F3N2O3/c1-2-4-3-5(16)18-8-6(4)7(17)14-9(15-8)10(11,12)13/h3H,2H2,1H3,(H,14,15,17)
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n/an/an/an/a 1.26E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337025
PNG
(5-ethyl-2-(hydroxymethyl)-3H-pyrano[2,3-d]pyrimidi...)
Show SMILES CCc1cc(=O)oc2nc(CO)[nH]c(=O)c12
Show InChI InChI=1S/C10H10N2O4/c1-2-5-3-7(14)16-10-8(5)9(15)11-6(4-13)12-10/h3,13H,2,4H2,1H3,(H,11,12,15)
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n/an/an/an/a 1.11E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337026
PNG
(5-(3-bi(cycloprop)ylpropyl)-2-(difluoromethyl)-3H-...)
Show SMILES FC(F)c1nc2oc(=O)cc(CCCC3(CC3)C3CC3)c2c(=O)[nH]1
Show InChI InChI=1S/C17H18F2N2O3/c18-13(19)14-20-15(23)12-9(8-11(22)24-16(12)21-14)2-1-5-17(6-7-17)10-3-4-10/h8,10,13H,1-7H2,(H,20,21,23)
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n/an/an/an/a 1.08E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337027
PNG
(5-(cyclobutylmethyl)-2-(difluoromethyl)-3H-pyrano[...)
Show SMILES FC(F)c1nc2oc(=O)cc(CC3CCC3)c2c(=O)[nH]1
Show InChI InChI=1S/C13H12F2N2O3/c14-10(15)11-16-12(19)9-7(4-6-2-1-3-6)5-8(18)20-13(9)17-11/h5-6,10H,1-4H2,(H,16,17,19)
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n/an/an/an/a 821n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337028
PNG
(2-(difluoromethyl)-5-(3-(1-isopropylcyclopropyl)pr...)
Show SMILES CC(C)C1(CCCc2cc(=O)oc3nc([nH]c(=O)c23)C(F)F)CC1
Show InChI InChI=1S/C17H20F2N2O3/c1-9(2)17(6-7-17)5-3-4-10-8-11(22)24-16-12(10)15(23)20-14(21-16)13(18)19/h8-9,13H,3-7H2,1-2H3,(H,20,21,23)
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n/an/an/an/a 787n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337029
PNG
(5-(4-cyclopropylbutyl)-2-(difluoromethyl)-3H-pyran...)
Show SMILES FC(F)c1nc2oc(=O)cc(CCCCC3CC3)c2c(=O)[nH]1
Show InChI InChI=1S/C15H16F2N2O3/c16-12(17)13-18-14(21)11-9(4-2-1-3-8-5-6-8)7-10(20)22-15(11)19-13/h7-8,12H,1-6H2,(H,18,19,21)
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n/an/an/an/a 591n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337030
PNG
(5-(3-cyclobutylpropyl)-2-(difluoromethyl)-3H-pyran...)
Show SMILES FC(F)c1nc2oc(=O)cc(CCCC3CCC3)c2c(=O)[nH]1
Show InChI InChI=1S/C15H16F2N2O3/c16-12(17)13-18-14(21)11-9(6-2-5-8-3-1-4-8)7-10(20)22-15(11)19-13/h7-8,12H,1-6H2,(H,18,19,21)
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n/an/an/an/a 479n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337031
PNG
(5-ethyl-2-mercapto-3H-pyrano[2,3-d]pyrimidine-4,7-...)
Show SMILES CCc1cc(=O)oc2[nH]c(=S)[nH]c(=O)c12
Show InChI InChI=1S/C9H8N2O3S/c1-2-4-3-5(12)14-8-6(4)7(13)10-9(15)11-8/h3H,2H2,1H3,(H2,10,11,13,15)
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n/an/an/an/a 470n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337032
PNG
(5-(2-cyclopropylethyl)-2-(difluoromethyl)-3H-pyran...)
Show SMILES FC(F)c1nc2oc(=O)cc(CCC3CC3)c2c(=O)[nH]1
Show InChI InChI=1S/C13H12F2N2O3/c14-10(15)11-16-12(19)9-7(4-3-6-1-2-6)5-8(18)20-13(9)17-11/h5-6,10H,1-4H2,(H,16,17,19)
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n/an/an/an/a 451n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337033
PNG
(2-(difluoromethyl)-5-(2-(3-methylcyclobutyl)ethyl)...)
Show SMILES CC1CC(CCc2cc(=O)oc3nc([nH]c(=O)c23)C(F)F)C1
Show InChI InChI=1S/C15H16F2N2O3/c1-7-4-8(5-7)2-3-9-6-10(20)22-15-11(9)14(21)18-13(19-15)12(16)17/h6-8,12H,2-5H2,1H3,(H,18,19,21)
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n/an/an/an/a 379n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337034
PNG
(2-(difluoromethyl)-5-ethyl-3H-pyrano[2,3-d]pyrimid...)
Show SMILES CCc1cc(=O)oc2nc([nH]c(=O)c12)C(F)F
Show InChI InChI=1S/C10H8F2N2O3/c1-2-4-3-5(15)17-10-6(4)9(16)13-8(14-10)7(11)12/h3,7H,2H2,1H3,(H,13,14,16)
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n/an/an/an/a 353n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337035
PNG
(5-ethyl-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidin...)
Show SMILES CCc1cc(=O)oc2nc(CF)[nH]c(=O)c12
Show InChI InChI=1S/C10H9FN2O3/c1-2-5-3-7(14)16-10-8(5)9(15)12-6(4-11)13-10/h3H,2,4H2,1H3,(H,12,13,15)
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n/an/an/an/a 335n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337036
PNG
(2-(difluoromethyl)-5-(3-(1-ethylcyclopropyl)propyl...)
Show SMILES CCC1(CCCc2cc(=O)oc3nc([nH]c(=O)c23)C(F)F)CC1
Show InChI InChI=1S/C16H18F2N2O3/c1-2-16(6-7-16)5-3-4-9-8-10(21)23-15-11(9)14(22)19-13(20-15)12(17)18/h8,12H,2-7H2,1H3,(H,19,20,22)
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n/an/an/an/a 327n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337037
PNG
(2-(difluoromethyl)-5-hexyl-3H-pyrano[2,3-d]pyrimid...)
Show SMILES CCCCCCc1cc(=O)oc2nc([nH]c(=O)c12)C(F)F
Show InChI InChI=1S/C14H16F2N2O3/c1-2-3-4-5-6-8-7-9(19)21-14-10(8)13(20)17-12(18-14)11(15)16/h7,11H,2-6H2,1H3,(H,17,18,20)
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n/an/an/an/a 308n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337039
PNG
(2-(difluoromethyl)-5-(3-(1-fluorocyclopropyl)propy...)
Show SMILES FC(F)c1nc2oc(=O)cc(CCCC3(F)CC3)c2c(=O)[nH]1
Show InChI InChI=1S/C14H13F3N2O3/c15-10(16)11-18-12(21)9-7(2-1-3-14(17)4-5-14)6-8(20)22-13(9)19-11/h6,10H,1-5H2,(H,18,19,21)
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n/an/an/an/a 281n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337040
PNG
(2-(difluoromethyl)-5-isopentyl-3H-pyrano[2,3-d]pyr...)
Show SMILES CC(C)CCc1cc(=O)oc2nc([nH]c(=O)c12)C(F)F
Show InChI InChI=1S/C13H14F2N2O3/c1-6(2)3-4-7-5-8(18)20-13-9(7)12(19)16-11(17-13)10(14)15/h5-6,10H,3-4H2,1-2H3,(H,16,17,19)
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n/an/an/an/a 275n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337041
PNG
(5-butyl-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimid...)
Show SMILES CCCCc1cc(=O)oc2nc([nH]c(=O)c12)C(F)F
Show InChI InChI=1S/C12H12F2N2O3/c1-2-3-4-6-5-7(17)19-12-8(6)11(18)15-10(16-12)9(13)14/h5,9H,2-4H2,1H3,(H,15,16,18)
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n/an/an/an/a 245n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50337042
PNG
(2-(difluoromethyl)-5-(2-(spiro[2.3]hexan-5-yl)ethy...)
Show SMILES FC(F)c1nc2oc(=O)cc(CCC3CC4(CC4)C3)c2c(=O)[nH]1
Show InChI InChI=1S/C16H16F2N2O3/c17-12(18)13-19-14(22)11-9(5-10(21)23-15(11)20-13)2-1-8-6-16(7-8)3-4-16/h5,8,12H,1-4,6-7H2,(H,19,20,22)
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n/an/an/an/a 130n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
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