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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50039812   
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
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50384612
PNG
(CHEMBL2036958)
Show SMILES CC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1
Show InChI InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)
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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 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50384612
PNG
(CHEMBL2036958)
Show SMILES CC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1
Show InChI InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)
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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 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50384612
PNG
(CHEMBL2036958)
Show SMILES CC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1
Show InChI InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)
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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 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50384612
PNG
(CHEMBL2036958)
Show SMILES CC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1
Show InChI InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)
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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 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384617
PNG
(CHEMBL2036814)
Show SMILES CC(C)c1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C10H10N2O4/c1-4(2)5-3-6(13)16-9-7(5)8(14)11-10(15)12-9/h3-4H,1-2H3,(H2,11,12,14,15)
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n/an/an/an/a 220n/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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384618
PNG
(CHEMBL2036815)
Show SMILES FC(F)(F)c1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C8H3F3N2O4/c9-8(10,11)2-1-3(14)17-6-4(2)5(15)12-7(16)13-6/h1H,(H2,12,13,15,16)
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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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384619
PNG
(CHEMBL2036816)
Show SMILES FC(F)(F)Cc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C9H5F3N2O4/c10-9(11,12)2-3-1-4(15)18-7-5(3)6(16)13-8(17)14-7/h1H,2H2,(H2,13,14,16,17)
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n/an/an/an/a 1.60E+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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384620
PNG
(CHEMBL2036817)
Show SMILES O=c1[nH]c2oc(=O)cc(-c3ccccc3)c2c(=O)[nH]1
Show InChI InChI=1S/C13H8N2O4/c16-9-6-8(7-4-2-1-3-5-7)10-11(17)14-13(18)15-12(10)19-9/h1-6H,(H2,14,15,17,18)
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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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384621
PNG
(CHEMBL2036818)
Show SMILES COC(=O)c1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C9H6N2O6/c1-16-8(14)3-2-4(12)17-7-5(3)6(13)10-9(15)11-7/h2H,1H3,(H2,10,11,13,15)
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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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384622
PNG
(CHEMBL2036819)
Show SMILES CCOC(=O)Cc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C11H10N2O6/c1-2-18-6(14)3-5-4-7(15)19-10-8(5)9(16)12-11(17)13-10/h4H,2-3H2,1H3,(H2,12,13,16,17)
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n/an/an/an/a 930n/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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384623
PNG
(CHEMBL2036820)
Show SMILES Fc1ccc(Cc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)cc1
Show InChI InChI=1S/C14H9FN2O4/c15-9-3-1-7(2-4-9)5-8-6-10(18)21-13-11(8)12(19)16-14(20)17-13/h1-4,6H,5H2,(H2,16,17,19,20)
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n/an/an/an/a 170n/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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384624
PNG
(CHEMBL2036821)
Show SMILES CC(O)c1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C9H8N2O5/c1-3(12)4-2-5(13)16-8-6(4)7(14)10-9(15)11-8/h2-3,12H,1H3,(H2,10,11,14,15)
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n/an/an/an/a 1.30E+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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384625
PNG
(CHEMBL2036822)
Show SMILES O=c1cc(CCCc2ccccc2)c2c([nH]c(=O)[nH]c2=O)o1
Show InChI InChI=1S/C16H14N2O4/c19-12-9-11(8-4-7-10-5-2-1-3-6-10)13-14(20)17-16(21)18-15(13)22-12/h1-3,5-6,9H,4,7-8H2,(H2,17,18,20,21)
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n/an/an/an/a 6.10E+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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384626
PNG
(CHEMBL2036823)
Show SMILES O=c1cc(CCCc2cccs2)c2c([nH]c(=O)[nH]c2=O)o1
Show InChI InChI=1S/C14H12N2O4S/c17-10-7-8(3-1-4-9-5-2-6-21-9)11-12(18)15-14(19)16-13(11)20-10/h2,5-7H,1,3-4H2,(H2,15,16,18,19)
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n/an/an/an/a 26n/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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384627
PNG
(CHEMBL2036825)
Show SMILES CCCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C12H14N2O4/c1-2-3-4-5-7-6-8(15)18-11-9(7)10(16)13-12(17)14-11/h6H,2-5H2,1H3,(H2,13,14,16,17)
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n/an/an/an/a 19n/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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384628
PNG
(CHEMBL2036826)
Show SMILES CCCCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C13H16N2O4/c1-2-3-4-5-6-8-7-9(16)19-12-10(8)11(17)14-13(18)15-12/h7H,2-6H2,1H3,(H2,14,15,17,18)
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n/an/an/an/a 28n/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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384629
PNG
(CHEMBL2036827)
Show SMILES COCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C11H12N2O5/c1-17-4-2-3-6-5-7(14)18-10-8(6)9(15)12-11(16)13-10/h5H,2-4H2,1H3,(H2,12,13,15,16)
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n/an/an/an/a 110n/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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384630
PNG
(CHEMBL2036828)
Show SMILES CSCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C11H12N2O4S/c1-18-4-2-3-6-5-7(14)17-10-8(6)9(15)12-11(16)13-10/h5H,2-4H2,1H3,(H2,12,13,15,16)
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n/an/an/an/a 11n/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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384631
PNG
(CHEMBL2036829)
Show SMILES CS(=O)(=O)CCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C11H12N2O6S/c1-20(17,18)4-2-3-6-5-7(14)19-10-8(6)9(15)12-11(16)13-10/h5H,2-4H2,1H3,(H2,12,13,15,16)
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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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384632
PNG
(CHEMBL2036830)
Show SMILES CCCC(C)c1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C12H14N2O4/c1-3-4-6(2)7-5-8(15)18-11-9(7)10(16)13-12(17)14-11/h5-6H,3-4H2,1-2H3,(H2,13,14,16,17)
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n/an/an/an/a 230n/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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384633
PNG
(CHEMBL2036947)
Show SMILES CCC(C)Cc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C12H14N2O4/c1-3-6(2)4-7-5-8(15)18-11-9(7)10(16)13-12(17)14-11/h5-6H,3-4H2,1-2H3,(H2,13,14,16,17)
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n/an/an/an/a 310n/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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384634
PNG
(CHEMBL2036948)
Show SMILES CC(C)CCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C12H14N2O4/c1-6(2)3-4-7-5-8(15)18-11-9(7)10(16)13-12(17)14-11/h5-6H,3-4H2,1-2H3,(H2,13,14,16,17)
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n/an/an/an/a 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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384635
PNG
(CHEMBL2036949)
Show SMILES CC(C)(C)CCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C13H16N2O4/c1-13(2,3)5-4-7-6-8(16)19-11-9(7)10(17)14-12(18)15-11/h6H,4-5H2,1-3H3,(H2,14,15,17,18)
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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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384636
PNG
(CHEMBL2036950)
Show SMILES CC(C)CCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C13H16N2O4/c1-7(2)4-3-5-8-6-9(16)19-12-10(8)11(17)14-13(18)15-12/h6-7H,3-5H2,1-2H3,(H2,14,15,17,18)
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n/an/an/an/a 5n/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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384637
PNG
(CHEMBL2036951)
Show SMILES FC(F)CCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C11H10F2N2O4/c12-6(13)3-1-2-5-4-7(16)19-10-8(5)9(17)14-11(18)15-10/h4,6H,1-3H2,(H2,14,15,17,18)
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n/an/an/an/a 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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
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 39n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR109a


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384639
PNG
(CHEMBL2036953)
Show SMILES O=c1cc(CCC2CC2)c2c([nH]c(=O)[nH]c2=O)o1
Show InChI InChI=1S/C12H12N2O4/c15-8-5-7(4-3-6-1-2-6)9-10(16)13-12(17)14-11(9)18-8/h5-6H,1-4H2,(H2,13,14,16,17)
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n/an/an/an/a 13n/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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384640
PNG
(CHEMBL2036954)
Show SMILES O=c1cc(CCC2CCC2)c2c([nH]c(=O)[nH]c2=O)o1
Show InChI InChI=1S/C13H14N2O4/c16-9-6-8(5-4-7-2-1-3-7)10-11(17)14-13(18)15-12(10)19-9/h6-7H,1-5H2,(H2,14,15,17,18)
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n/an/an/an/a 1n/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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384641
PNG
(CHEMBL2036955)
Show SMILES O=c1cc(CCCC2CC2)c2c([nH]c(=O)[nH]c2=O)o1
Show InChI InChI=1S/C13H14N2O4/c16-9-6-8(3-1-2-7-4-5-7)10-11(17)14-13(18)15-12(10)19-9/h6-7H,1-5H2,(H2,14,15,17,18)
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n/an/an/an/a 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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384642
PNG
(CHEMBL2036956)
Show SMILES O=c1cc(CCCC2CCC2)c2c([nH]c(=O)[nH]c2=O)o1
Show InChI InChI=1S/C14H16N2O4/c17-10-7-9(6-2-5-8-3-1-4-8)11-12(18)15-14(19)16-13(11)20-10/h7-8H,1-6H2,(H2,15,16,18,19)
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n/an/an/an/a 39n/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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384643
PNG
(CHEMBL2036957)
Show SMILES O=c1cc(CCCCC2CC2)c2c([nH]c(=O)[nH]c2=O)o1
Show InChI InChI=1S/C14H16N2O4/c17-10-7-9(4-2-1-3-8-5-6-8)11-12(18)15-14(19)16-13(11)20-10/h7-8H,1-6H2,(H2,15,16,18,19)
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n/an/an/an/a 10n/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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384612
PNG
(CHEMBL2036958)
Show SMILES CC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1
Show InChI InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)
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n/an/an/an/a 2n/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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384644
PNG
(CHEMBL2036960)
Show SMILES ClC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1
Show InChI InChI=1S/C13H13ClN2O4/c14-13(4-5-13)3-1-2-7-6-8(17)20-11-9(7)10(18)15-12(19)16-11/h6H,1-5H2,(H2,15,16,18,19)
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n/an/an/an/a 7n/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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384645
PNG
(CHEMBL2035002)
Show SMILES FC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1
Show InChI InChI=1S/C13H13FN2O4/c14-13(4-5-13)3-1-2-7-6-8(17)20-11-9(7)10(18)15-12(19)16-11/h6H,1-5H2,(H2,15,16,18,19)
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n/an/an/an/a 16n/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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(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 99n/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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50384616
PNG
(CHEMBL2036813)
Show SMILES CCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C11H12N2O4/c1-2-3-4-6-5-7(14)17-10-8(6)9(15)12-11(16)13-10/h5H,2-4H2,1H3,(H2,12,13,15,16)
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n/an/an/an/a 190n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50384634
PNG
(CHEMBL2036948)
Show SMILES CC(C)CCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C12H14N2O4/c1-6(2)3-4-7-5-8(15)18-11-9(7)10(16)13-12(17)14-11/h5-6H,3-4H2,1-2H3,(H2,13,14,16,17)
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n/an/an/an/a 1.30E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50384637
PNG
(CHEMBL2036951)
Show SMILES FC(F)CCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C11H10F2N2O4/c12-6(13)3-1-2-5-4-7(16)19-10-8(5)9(17)14-11(18)15-10/h4,6H,1-3H2,(H2,14,15,17,18)
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n/an/an/an/a 59n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50384640
PNG
(CHEMBL2036954)
Show SMILES O=c1cc(CCC2CCC2)c2c([nH]c(=O)[nH]c2=O)o1
Show InChI InChI=1S/C13H14N2O4/c16-9-6-8(5-4-7-2-1-3-7)10-11(17)14-13(18)15-12(10)19-9/h6-7H,1-5H2,(H2,14,15,17,18)
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n/an/an/an/a 67n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50384641
PNG
(CHEMBL2036955)
Show SMILES O=c1cc(CCCC2CC2)c2c([nH]c(=O)[nH]c2=O)o1
Show InChI InChI=1S/C13H14N2O4/c16-9-6-8(3-1-2-7-4-5-7)10-11(17)14-13(18)15-12(10)19-9/h6-7H,1-5H2,(H2,14,15,17,18)
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n/an/an/an/a 140n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50384612
PNG
(CHEMBL2036958)
Show SMILES CC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1
Show InChI InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)
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n/an/an/an/a 96n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(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 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50384616
PNG
(CHEMBL2036813)
Show SMILES CCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C11H12N2O4/c1-2-3-4-6-5-7(14)17-10-8(6)9(15)12-11(16)13-10/h5H,2-4H2,1H3,(H2,12,13,15,16)
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n/an/an/an/a 8n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR109a


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50384634
PNG
(CHEMBL2036948)
Show SMILES CC(C)CCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C12H14N2O4/c1-6(2)3-4-7-5-8(15)18-11-9(7)10(16)13-12(17)14-11/h5-6H,3-4H2,1-2H3,(H2,13,14,16,17)
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n/an/an/an/a 4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR109a


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50384637
PNG
(CHEMBL2036951)
Show SMILES FC(F)CCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C11H10F2N2O4/c12-6(13)3-1-2-5-4-7(16)19-10-8(5)9(17)14-11(18)15-10/h4,6H,1-3H2,(H2,14,15,17,18)
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n/an/an/an/a 2n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR109a


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50384640
PNG
(CHEMBL2036954)
Show SMILES O=c1cc(CCC2CCC2)c2c([nH]c(=O)[nH]c2=O)o1
Show InChI InChI=1S/C13H14N2O4/c16-9-6-8(5-4-7-2-1-3-7)10-11(17)14-13(18)15-12(10)19-9/h6-7H,1-5H2,(H2,14,15,17,18)
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n/an/an/an/a 5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR109a


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50384641
PNG
(CHEMBL2036955)
Show SMILES O=c1cc(CCCC2CC2)c2c([nH]c(=O)[nH]c2=O)o1
Show InChI InChI=1S/C13H14N2O4/c16-9-6-8(3-1-2-7-4-5-7)10-11(17)14-13(18)15-12(10)19-9/h6-7H,1-5H2,(H2,14,15,17,18)
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n/an/an/an/a 2n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR109a


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50384612
PNG
(CHEMBL2036958)
Show SMILES CC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1
Show InChI InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)
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n/an/an/an/a 8n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR109a


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50384616
PNG
(CHEMBL2036813)
Show SMILES CCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C11H12N2O4/c1-2-3-4-6-5-7(14)17-10-8(6)9(15)12-11(16)13-10/h5H,2-4H2,1H3,(H2,12,13,15,16)
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n/an/an/an/a 12n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR109a


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50384640
PNG
(CHEMBL2036954)
Show SMILES O=c1cc(CCC2CCC2)c2c([nH]c(=O)[nH]c2=O)o1
Show InChI InChI=1S/C13H14N2O4/c16-9-6-8(5-4-7-2-1-3-7)10-11(17)14-13(18)15-12(10)19-9/h6-7H,1-5H2,(H2,14,15,17,18)
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n/an/an/an/a 4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR109a


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
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