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PubMed code 22209457

Compile data set for download or QSAR
Found 47 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))
BDBM50362607
PNG
(CHEMBL1939024)
Show SMILES CCc1cc(=O)oc2nc(OCc3ccccc3C(F)(F)F)[nH]c(=O)c12
Show InChI InChI=1S/C17H13F3N2O4/c1-2-9-7-12(23)26-15-13(9)14(24)21-16(22-15)25-8-10-5-3-4-6-11(10)17(18,19)20/h3-7H,2,8H2,1H3,(H,21,22,24)
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PubMed
n/an/an/an/a 133n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50362632
PNG
(CHEMBL1939049)
Show SMILES CCC#CCOc1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1
Show InChI InChI=1S/C18H20N2O4/c1-2-3-4-10-23-18-19-16(22)15-13(7-5-6-12-8-9-12)11-14(21)24-17(15)20-18/h11-12H,2,5-10H2,1H3,(H,19,20,22)
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n/an/an/an/a 83n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at rat nicotinic acid receptor


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362622
PNG
(CHEMBL1939039)
Show SMILES CCc1cc(=O)oc2nc(OCC#CC3CC3)[nH]c(=O)c12
Show InChI InChI=1S/C15H14N2O4/c1-2-10-8-11(18)21-14-12(10)13(19)16-15(17-14)20-7-3-4-9-5-6-9/h8-9H,2,5-7H2,1H3,(H,16,17,19)
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n/an/an/an/a 34n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362628
PNG
(CHEMBL1939045)
Show SMILES CCC#CCOc1nc2oc(=O)cc(CCC(C)C)c2c(=O)[nH]1
Show InChI InChI=1S/C17H20N2O4/c1-4-5-6-9-22-17-18-15(21)14-12(8-7-11(2)3)10-13(20)23-16(14)19-17/h10-11H,4,7-9H2,1-3H3,(H,18,19,21)
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n/an/an/an/a 66n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362594
PNG
(CHEMBL1939011)
Show SMILES CCc1cc(=O)oc2nc(OC)[nH]c(=O)c12
Show InChI InChI=1S/C10H10N2O4/c1-3-5-4-6(13)16-9-7(5)8(14)11-10(12-9)15-2/h4H,3H2,1-2H3,(H,11,12,14)
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n/an/an/an/a 125n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362595
PNG
(CHEMBL1939012)
Show SMILES CCOc1nc2oc(=O)cc(CC)c2c(=O)[nH]1
Show InChI InChI=1S/C11H12N2O4/c1-3-6-5-7(14)17-10-8(6)9(15)12-11(13-10)16-4-2/h5H,3-4H2,1-2H3,(H,12,13,15)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362596
PNG
(CHEMBL1939013)
Show SMILES CCc1cc(=O)oc2nc(OCC3CC3)[nH]c(=O)c12
Show InChI InChI=1S/C13H14N2O4/c1-2-8-5-9(16)19-12-10(8)11(17)14-13(15-12)18-6-7-3-4-7/h5,7H,2-4,6H2,1H3,(H,14,15,17)
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n/an/an/an/a 285n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362597
PNG
(CHEMBL1939014)
Show SMILES CCc1cc(=O)oc2nc(OCc3ccccc3)[nH]c(=O)c12
Show InChI InChI=1S/C16H14N2O4/c1-2-11-8-12(19)22-15-13(11)14(20)17-16(18-15)21-9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,17,18,20)
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n/an/an/an/a 190n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362599
PNG
(CHEMBL1939016)
Show SMILES CCc1cc(=O)oc2nc(OCCOC)[nH]c(=O)c12
Show InChI InChI=1S/C12H14N2O5/c1-3-7-6-8(15)19-11-9(7)10(16)13-12(14-11)18-5-4-17-2/h6H,3-5H2,1-2H3,(H,13,14,16)
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n/an/an/an/a 138n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362606
PNG
(CHEMBL1939023)
Show SMILES CCc1cc(=O)oc2nc(OCc3ccc(OC)cc3)[nH]c(=O)c12
Show InChI InChI=1S/C17H16N2O5/c1-3-11-8-13(20)24-16-14(11)15(21)18-17(19-16)23-9-10-4-6-12(22-2)7-5-10/h4-8H,3,9H2,1-2H3,(H,18,19,21)
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n/an/an/an/a 1.06E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362608
PNG
(CHEMBL1939025)
Show SMILES CCc1cc(=O)oc2nc(OCc3cccc(c3)C(F)(F)F)[nH]c(=O)c12
Show InChI InChI=1S/C17H13F3N2O4/c1-2-10-7-12(23)26-15-13(10)14(24)21-16(22-15)25-8-9-4-3-5-11(6-9)17(18,19)20/h3-7H,2,8H2,1H3,(H,21,22,24)
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n/an/an/an/a 290n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362620
PNG
(CHEMBL1939037)
Show SMILES CCC#CCOc1nc2oc(=O)cc(CC)c2c(=O)[nH]1
Show InChI InChI=1S/C14H14N2O4/c1-3-5-6-7-19-14-15-12(18)11-9(4-2)8-10(17)20-13(11)16-14/h8H,3-4,7H2,1-2H3,(H,15,16,18)
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n/an/an/an/a 96n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362630
PNG
(CHEMBL1939047)
Show SMILES CCC#CCOc1nc2oc(=O)cc(CCC3CCC3)c2c(=O)[nH]1
Show InChI InChI=1S/C18H20N2O4/c1-2-3-4-10-23-18-19-16(22)15-13(9-8-12-6-5-7-12)11-14(21)24-17(15)20-18/h11-12H,2,5-10H2,1H3,(H,19,20,22)
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n/an/an/an/a 22n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362631
PNG
(CHEMBL1939048)
Show SMILES CCC#CCOc1nc2oc(=O)cc(CCC3CC3)c2c(=O)[nH]1
Show InChI InChI=1S/C17H18N2O4/c1-2-3-4-9-22-17-18-15(21)14-12(8-7-11-5-6-11)10-13(20)23-16(14)19-17/h10-11H,2,5-9H2,1H3,(H,18,19,21)
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n/an/an/an/a 90n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362609
PNG
(CHEMBL1939026)
Show SMILES CCc1cc(=O)oc2nc(OCc3ccc(cc3)C(F)(F)F)[nH]c(=O)c12
Show InChI InChI=1S/C17H13F3N2O4/c1-2-10-7-12(23)26-15-13(10)14(24)21-16(22-15)25-8-9-3-5-11(6-4-9)17(18,19)20/h3-7H,2,8H2,1H3,(H,21,22,24)
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n/an/an/an/a 270n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362612
PNG
(CHEMBL1939029)
Show SMILES CCc1cc(=O)oc2nc(OCc3ccc(cc3F)-c3cncnc3)[nH]c(=O)c12
Show InChI InChI=1S/C20H15FN4O4/c1-2-11-6-16(26)29-19-17(11)18(27)24-20(25-19)28-9-13-4-3-12(5-15(13)21)14-7-22-10-23-8-14/h3-8,10H,2,9H2,1H3,(H,24,25,27)
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n/an/an/an/a 291n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362632
PNG
(CHEMBL1939049)
Show SMILES CCC#CCOc1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1
Show InChI InChI=1S/C18H20N2O4/c1-2-3-4-10-23-18-19-16(22)15-13(7-5-6-12-8-9-12)11-14(21)24-17(15)20-18/h11-12H,2,5-10H2,1H3,(H,19,20,22)
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n/an/an/an/a 67n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
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 100n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362605
PNG
(CHEMBL1939022)
Show SMILES CCc1cc(=O)oc2nc(OCc3cccc(OC)c3)[nH]c(=O)c12
Show InChI InChI=1S/C17H16N2O5/c1-3-11-8-13(20)24-16-14(11)15(21)18-17(19-16)23-9-10-5-4-6-12(7-10)22-2/h4-8H,3,9H2,1-2H3,(H,18,19,21)
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n/an/an/an/a 860n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362613
PNG
(CHEMBL1939030)
Show SMILES CCc1cc(=O)oc2nc(OCc3cccnc3)[nH]c(=O)c12
Show InChI InChI=1S/C15H13N3O4/c1-2-10-6-11(19)22-14-12(10)13(20)17-15(18-14)21-8-9-4-3-5-16-7-9/h3-7H,2,8H2,1H3,(H,17,18,20)
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n/an/an/an/a 738n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362624
PNG
(CHEMBL1939041)
Show SMILES CCc1cc(=O)oc2nc(OCC#CCO)[nH]c(=O)c12
Show InChI InChI=1S/C13H12N2O5/c1-2-8-7-9(17)20-12-10(8)11(18)14-13(15-12)19-6-4-3-5-16/h7,16H,2,5-6H2,1H3,(H,14,15,18)
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n/an/an/an/a 312n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362626
PNG
(CHEMBL1939043)
Show SMILES CCc1cc(=O)oc2nc(OCC#CCCCO)[nH]c(=O)c12
Show InChI InChI=1S/C15H16N2O5/c1-2-10-9-11(19)22-14-12(10)13(20)16-15(17-14)21-8-6-4-3-5-7-18/h9,18H,2-3,5,7-8H2,1H3,(H,16,17,20)
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n/an/an/an/a 26n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362634
PNG
(CHEMBL1939051)
Show SMILES CC\C=C\COc1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1
Show InChI InChI=1S/C18H22N2O4/c1-2-3-4-10-23-18-19-16(22)15-13(7-5-6-12-8-9-12)11-14(21)24-17(15)20-18/h3-4,11-12H,2,5-10H2,1H3,(H,19,20,22)/b4-3+
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362635
PNG
(CHEMBL1939052)
Show SMILES CCCCCOc1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1
Show InChI InChI=1S/C18H24N2O4/c1-2-3-4-10-23-18-19-16(22)15-13(7-5-6-12-8-9-12)11-14(21)24-17(15)20-18/h11-12H,2-10H2,1H3,(H,19,20,22)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
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



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362604
PNG
(CHEMBL1939021)
Show SMILES CCc1cc(=O)oc2nc(OCc3ccccc3OC)[nH]c(=O)c12
Show InChI InChI=1S/C17H16N2O5/c1-3-10-8-13(20)24-16-14(10)15(21)18-17(19-16)23-9-11-6-4-5-7-12(11)22-2/h4-8H,3,9H2,1-2H3,(H,18,19,21)
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n/an/an/an/a 113n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362610
PNG
(CHEMBL1939027)
Show SMILES CCc1cc(=O)oc2nc(OCc3ccccc3-c3cccc(c3)C#N)[nH]c(=O)c12
Show InChI InChI=1S/C23H17N3O4/c1-2-15-11-19(27)30-22-20(15)21(28)25-23(26-22)29-13-17-7-3-4-9-18(17)16-8-5-6-14(10-16)12-24/h3-11H,2,13H2,1H3,(H,25,26,28)
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n/an/an/an/a 238n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362611
PNG
(CHEMBL1939028)
Show SMILES CCc1cc(=O)oc2nc(OCc3cccc(c3)-c3cccc(c3)C#N)[nH]c(=O)c12
Show InChI InChI=1S/C23H17N3O4/c1-2-16-11-19(27)30-22-20(16)21(28)25-23(26-22)29-13-15-6-4-8-18(10-15)17-7-3-5-14(9-17)12-24/h3-11H,2,13H2,1H3,(H,25,26,28)
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n/an/an/an/a 723n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362616
PNG
(CHEMBL1939033)
Show SMILES CCc1noc(CC)c1COc1nc2oc(=O)cc(CC)c2c(=O)[nH]1
Show InChI InChI=1S/C17H19N3O5/c1-4-9-7-13(21)24-16-14(9)15(22)18-17(19-16)23-8-10-11(5-2)20-25-12(10)6-3/h7H,4-6,8H2,1-3H3,(H,18,19,22)
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n/an/an/an/a 588n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362618
PNG
(CHEMBL1939035)
Show SMILES CCc1cc(=O)oc2nc(OCC#C)[nH]c(=O)c12
Show InChI InChI=1S/C12H10N2O4/c1-3-5-17-12-13-10(16)9-7(4-2)6-8(15)18-11(9)14-12/h1,6H,4-5H2,2H3,(H,13,14,16)
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n/an/an/an/a 911n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362619
PNG
(CHEMBL1939036)
Show SMILES CCc1cc(=O)oc2nc(OCC#CC)[nH]c(=O)c12
Show InChI InChI=1S/C13H12N2O4/c1-3-5-6-18-13-14-11(17)10-8(4-2)7-9(16)19-12(10)15-13/h7H,4,6H2,1-2H3,(H,14,15,17)
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n/an/an/an/a 425n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362598
PNG
(CHEMBL1939015)
Show SMILES CCc1cc(=O)oc2nc(OCCc3ccccc3)[nH]c(=O)c12
Show InChI InChI=1S/C17H16N2O4/c1-2-12-10-13(20)23-16-14(12)15(21)18-17(19-16)22-9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,18,19,21)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362600
PNG
(CHEMBL1939017)
Show SMILES CCOCCOc1nc2oc(=O)cc(CC)c2c(=O)[nH]1
Show InChI InChI=1S/C13H16N2O5/c1-3-8-7-9(16)20-12-10(8)11(17)14-13(15-12)19-6-5-18-4-2/h7H,3-6H2,1-2H3,(H,14,15,17)
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n/an/an/an/a 2.06E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362621
PNG
(CHEMBL1939038)
Show SMILES CCCC#CCOc1nc2oc(=O)cc(CC)c2c(=O)[nH]1
Show InChI InChI=1S/C15H16N2O4/c1-3-5-6-7-8-20-15-16-13(19)12-10(4-2)9-11(18)21-14(12)17-15/h9H,3-5,8H2,1-2H3,(H,16,17,19)
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n/an/an/an/a 53n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50362630
PNG
(CHEMBL1939047)
Show SMILES CCC#CCOc1nc2oc(=O)cc(CCC3CCC3)c2c(=O)[nH]1
Show InChI InChI=1S/C18H20N2O4/c1-2-3-4-10-23-18-19-16(22)15-13(9-8-12-6-5-7-12)11-14(21)24-17(15)20-18/h11-12H,2,5-10H2,1H3,(H,19,20,22)
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n/an/an/an/a 28n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at rat nicotinic acid receptor


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362593
PNG
(CHEMBL1938888)
Show SMILES Cc1cc(=O)oc2nc([nH]c(=O)c12)S(C)=O
Show InChI InChI=1S/C9H8N2O4S/c1-4-3-5(12)15-8-6(4)7(13)10-9(11-8)16(2)14/h3H,1-2H3,(H,10,11,13)
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n/an/an/an/a 1.39E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362603
PNG
(CHEMBL1939020)
Show SMILES COc1nc2oc(=O)cc(CCC(C)C)c2c(=O)[nH]1
Show InChI InChI=1S/C13H16N2O4/c1-7(2)4-5-8-6-9(16)19-12-10(8)11(17)14-13(15-12)18-3/h6-7H,4-5H2,1-3H3,(H,14,15,17)
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n/an/an/an/a 260n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362614
PNG
(CHEMBL1939031)
Show SMILES CCc1cc(=O)oc2nc(OCc3ccnnc3)[nH]c(=O)c12
Show InChI InChI=1S/C14H12N4O4/c1-2-9-5-10(19)22-13-11(9)12(20)17-14(18-13)21-7-8-3-4-15-16-6-8/h3-6H,2,7H2,1H3,(H,17,18,20)
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n/an/an/an/a 93n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362615
PNG
(CHEMBL1939032)
Show SMILES CCc1noc(C)c1COc1nc2oc(=O)cc(CC)c2c(=O)[nH]1
Show InChI InChI=1S/C16H17N3O5/c1-4-9-6-12(20)23-15-13(9)14(21)17-16(18-15)22-7-10-8(3)24-19-11(10)5-2/h6H,4-5,7H2,1-3H3,(H,17,18,21)
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n/an/an/an/a 63n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362623
PNG
(CHEMBL1939040)
Show SMILES CCc1cc(=O)oc2nc(OCC#CC3CCCCC3)[nH]c(=O)c12
Show InChI InChI=1S/C18H20N2O4/c1-2-13-11-14(21)24-17-15(13)16(22)19-18(20-17)23-10-6-9-12-7-4-3-5-8-12/h11-12H,2-5,7-8,10H2,1H3,(H,19,20,22)
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n/an/an/an/a 177n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362625
PNG
(CHEMBL1939042)
Show SMILES CCc1cc(=O)oc2nc(OCC#CCCO)[nH]c(=O)c12
Show InChI InChI=1S/C14H14N2O5/c1-2-9-8-10(18)21-13-11(9)12(19)15-14(16-13)20-7-5-3-4-6-17/h8,17H,2,4,6-7H2,1H3,(H,15,16,19)
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n/an/an/an/a 179n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362627
PNG
(CHEMBL1939044)
Show SMILES CCC#CCOc1nc2oc(=O)cc(Cc3ccccc3)c2c(=O)[nH]1
Show InChI InChI=1S/C19H16N2O4/c1-2-3-7-10-24-19-20-17(23)16-14(11-13-8-5-4-6-9-13)12-15(22)25-18(16)21-19/h4-6,8-9,12H,2,10-11H2,1H3,(H,20,21,23)
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n/an/an/an/a 137n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362629
PNG
(CHEMBL1939046)
Show SMILES CCC#CCOc1nc2oc(=O)cc(CCC3CCCC3)c2c(=O)[nH]1
Show InChI InChI=1S/C19H22N2O4/c1-2-3-6-11-24-19-20-17(23)16-14(10-9-13-7-4-5-8-13)12-15(22)25-18(16)21-19/h12-13H,2,4-5,7-11H2,1H3,(H,20,21,23)
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n/an/an/an/a 172n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362633
PNG
(CHEMBL1939050)
Show SMILES CCc1cc(=O)oc2nc(OCCC#CC)[nH]c(=O)c12
Show InChI InChI=1S/C14H14N2O4/c1-3-5-6-7-19-14-15-12(18)11-9(4-2)8-10(17)20-13(11)16-14/h8H,4,6-7H2,1-2H3,(H,15,16,18)
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n/an/an/an/a 424n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362601
PNG
(CHEMBL1939018)
Show SMILES CCCCc1cc(=O)oc2nc(OC)[nH]c(=O)c12
Show InChI InChI=1S/C12H14N2O4/c1-3-4-5-7-6-8(15)18-11-9(7)10(16)13-12(14-11)17-2/h6H,3-5H2,1-2H3,(H,13,14,16)
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n/an/an/an/a 417n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362602
PNG
(CHEMBL1939019)
Show SMILES COc1nc2oc(=O)cc(CCC3CCCC3)c2c(=O)[nH]1
Show InChI InChI=1S/C15H18N2O4/c1-20-15-16-13(19)12-10(7-6-9-4-2-3-5-9)8-11(18)21-14(12)17-15/h8-9H,2-7H2,1H3,(H,16,17,19)
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n/an/an/an/a 319n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50362617
PNG
(CHEMBL1939034)
Show SMILES CCc1cc(=O)oc2nc(OCc3cc(C)on3)[nH]c(=O)c12
Show InChI InChI=1S/C14H13N3O5/c1-3-8-5-10(18)21-13-11(8)12(19)15-14(16-13)20-6-9-4-7(2)22-17-9/h4-5H,3,6H2,1-2H3,(H,15,16,19)
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Article
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n/an/an/an/a 1.00E+4n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human HM74A


Bioorg Med Chem Lett 22: 854-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.041
BindingDB Entry DOI: 10.7270/Q24B31S5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%