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Compile Data Set for Download or QSAR

Found 165 hits with Last Name = 'imbriglio' and Initial = 'je'   
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))
BDBM23525
PNG
(2-{3-[2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-5-y...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1cnc(s1)-c1ccc(O)cc1Cl
Show InChI InChI=1S/C19H15ClN2O4S/c20-15-9-11(23)5-7-13(15)18-21-10-12(27-18)6-8-17(24)22-16-4-2-1-3-14(16)19(25)26/h1-5,7,9-10,23H,6,8H2,(H,22,24)(H,25,26)
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342524
PNG
((S)-2-(2-amino-3-(3-(5-hydroxypyridin-2-yl)-1,2,4-...)
Show SMILES N[C@@H](Cc1nc(no1)-c1ccc(O)cn1)C(=O)Nc1ccccc1C(O)=O |r|
Show InChI InChI=1S/C17H15N5O5/c18-11(16(24)20-12-4-2-1-3-10(12)17(25)26)7-14-21-15(22-27-14)13-6-5-9(23)8-19-13/h1-6,8,11,23H,7,18H2,(H,20,24)(H,25,26)/t11-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50499290
PNG
(CHEMBL3734797)
Show SMILES Cc1noc(n1)[C@H]1C[C@@H]1C(=O)NCc1ccc(-c2cccc(OC(F)(F)F)c2)c2CCN(Cc12)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C29H32F3N5O4/c1-16-34-26(41-36-16)23-13-22(23)25(38)33-14-18-8-9-20(17-6-5-7-19(12-17)40-29(30,31)32)21-10-11-37(15-24(18)21)27(39)35-28(2,3)4/h5-9,12,22-23H,10-11,13-15H2,1-4H3,(H,33,38)(H,35,39)/t22-,23-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate


J Med Chem 58: 9345-53 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50499298
PNG
(CHEMBL3734847)
Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@H]2C[C@@H]2c2nc(C)no2)c2CN(CCc12)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C29H35N5O4/c1-17-31-27(38-33-17)24-14-23(24)26(35)30-15-19-9-10-21(18-7-6-8-20(13-18)37-5)22-11-12-34(16-25(19)22)28(36)32-29(2,3)4/h6-10,13,23-24H,11-12,14-16H2,1-5H3,(H,30,35)(H,32,36)/t23-,24-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate


J Med Chem 58: 9345-53 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50313977
PNG
(2-(3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-...)
Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1nc(no1)-c1ccc(O)cn1 |t:3|
Show InChI InChI=1S/C17H18N4O5/c22-10-5-6-13(18-9-10)16-20-15(26-21-16)8-7-14(23)19-12-4-2-1-3-11(12)17(24)25/h5-6,9,22H,1-4,7-8H2,(H,19,23)(H,24,25)
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50499292
PNG
(CHEMBL3734764)
Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2CN(CCc12)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C32H37N3O3/c1-32(2,3)34-31(37)35-16-15-26-25(22-11-8-12-24(17-22)38-4)14-13-23(29(26)20-35)19-33-30(36)28-18-27(28)21-9-6-5-7-10-21/h5-14,17,27-28H,15-16,18-20H2,1-4H3,(H,33,36)(H,34,37)/t27-,28+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate


J Med Chem 58: 9345-53 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342525
PNG
((R)-2-(2-amino-3-(3-(5-hydroxypyridin-2-yl)-1,2,4-...)
Show SMILES N[C@H](Cc1nc(no1)-c1ccc(O)cn1)C(=O)Nc1ccccc1C(O)=O |r|
Show InChI InChI=1S/C17H15N5O5/c18-11(16(24)20-12-4-2-1-3-10(12)17(25)26)7-14-21-15(22-27-14)13-6-5-9(23)8-19-13/h1-6,8,11,23H,7,18H2,(H,20,24)(H,25,26)/t11-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342527
PNG
((S)-2-(2-amino-3-(3-(5-hydroxypyridin-2-yl)-1,2,4-...)
Show SMILES N[C@@H](Cc1nc(no1)-c1ccc(O)cn1)C(=O)NC1=C(CCCC1)C(O)=O |r,t:20|
Show InChI InChI=1S/C17H19N5O5/c18-11(16(24)20-12-4-2-1-3-10(12)17(25)26)7-14-21-15(22-27-14)13-6-5-9(23)8-19-13/h5-6,8,11,23H,1-4,7,18H2,(H,20,24)(H,25,26)/t11-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM23533
PNG
(2-{3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1nc(no1)-c1ccc(O)cn1
Show InChI InChI=1S/C17H14N4O5/c22-10-5-6-13(18-9-10)16-20-15(26-21-16)8-7-14(23)19-12-4-2-1-3-11(12)17(24)25/h1-6,9,22H,7-8H2,(H,19,23)(H,24,25)
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM23527
PNG
(2-{3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]pro...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1nc(no1)-c1ccc(O)cc1
Show InChI InChI=1S/C18H15N3O5/c22-12-7-5-11(6-8-12)17-20-16(26-21-17)10-9-15(23)19-14-4-2-1-3-13(14)18(24)25/h1-8,22H,9-10H2,(H,19,23)(H,24,25)
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342528
PNG
((R)-2-((S)-2-amino-3-(3-(5-hydroxypyridin-2-yl)-1,...)
Show SMILES C[C@@H]1CCC(C(O)=O)=C(C1)NC(=O)[C@@H](N)Cc1nc(no1)-c1ccc(O)cn1 |r,c:7|
Show InChI InChI=1S/C18H21N5O5/c1-9-2-4-11(18(26)27)14(6-9)21-17(25)12(19)7-15-22-16(23-28-15)13-5-3-10(24)8-20-13/h3,5,8-9,12,24H,2,4,6-7,19H2,1H3,(H,21,25)(H,26,27)/t9-,12+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342520
PNG
((R)-2-((S)-2-amino-3-(3-(5-fluoropyridin-2-yl)-1,2...)
Show SMILES C[C@@H]1CCC(C(O)=O)=C(C1)NC(=O)[C@@H](N)Cc1nc(no1)-c1ccc(F)cn1 |r,c:7|
Show InChI InChI=1S/C18H20FN5O4/c1-9-2-4-11(18(26)27)14(6-9)22-17(25)12(20)7-15-23-16(24-28-15)13-5-3-10(19)8-21-13/h3,5,8-9,12H,2,4,6-7,20H2,1H3,(H,22,25)(H,26,27)/t9-,12+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342533
PNG
(2-(3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1cc2CCc3cc(O)ccc3-n2n1
Show InChI InChI=1S/C21H19N3O4/c25-16-8-9-19-13(11-16)5-7-15-12-14(23-24(15)19)6-10-20(26)22-18-4-2-1-3-17(18)21(27)28/h1-4,8-9,11-12,25H,5-7,10H2,(H,22,26)(H,27,28)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342530
PNG
(2-(3-(4'-hydroxybiphenyl-4-yl)propanamido)benzoic ...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C22H19NO4/c24-18-12-10-17(11-13-18)16-8-5-15(6-9-16)7-14-21(25)23-20-4-2-1-3-19(20)22(26)27/h1-6,8-13,24H,7,14H2,(H,23,25)(H,26,27)
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50323394
PNG
(5-(2,3,5-trifluorophenyl)-1,4,5,6-tetrahydrocyclop...)
Show SMILES OC(=O)c1n[nH]c2CC(Cc12)c1cc(F)cc(F)c1F
Show InChI InChI=1S/C13H9F3N2O2/c14-6-3-7(11(16)9(15)4-6)5-1-8-10(2-5)17-18-12(8)13(19)20/h3-5H,1-2H2,(H,17,18)(H,19,20)
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR10a receptor


Bioorg Med Chem Lett 20: 4472-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.041
BindingDB Entry DOI: 10.7270/Q2B858B5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342529
PNG
(2-((S)-2-amino-3-(3-(5-hydroxypyridin-2-yl)-1,2,4-...)
Show SMILES CC1CCC(NC(=O)[C@@H](N)Cc2nc(no2)-c2ccc(O)cn2)=C(C1)C(O)=O |r,c:24|
Show InChI InChI=1S/C18H21N5O5/c1-9-2-4-13(11(6-9)18(26)27)21-17(25)12(19)7-15-22-16(23-28-15)14-5-3-10(24)8-20-14/h3,5,8-9,12,24H,2,4,6-7,19H2,1H3,(H,21,25)(H,26,27)/t9?,12-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342521
PNG
((R)-2-(3-(3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol...)
Show SMILES C[C@@H]1CCC(C(O)=O)=C(C1)NC(=O)CCc1nc(no1)-c1ccc(F)cn1 |r,c:7|
Show InChI InChI=1S/C18H19FN4O4/c1-10-2-4-12(18(25)26)14(8-10)21-15(24)6-7-16-22-17(23-27-16)13-5-3-11(19)9-20-13/h3,5,9-10H,2,4,6-8H2,1H3,(H,21,24)(H,25,26)/t10-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50499286
PNG
(CHEMBL3735388)
Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2CN(CCc12)C(C)=O |r|
Show InChI InChI=1S/C29H30N2O3/c1-19(32)31-14-13-25-24(21-9-6-10-23(15-21)34-2)12-11-22(28(25)18-31)17-30-29(33)27-16-26(27)20-7-4-3-5-8-20/h3-12,15,26-27H,13-14,16-18H2,1-2H3,(H,30,33)/t26-,27+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of MGAT2 (unknown origin) by CPM assay


J Med Chem 58: 9345-53 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50323394
PNG
(5-(2,3,5-trifluorophenyl)-1,4,5,6-tetrahydrocyclop...)
Show SMILES OC(=O)c1n[nH]c2CC(Cc12)c1cc(F)cc(F)c1F
Show InChI InChI=1S/C13H9F3N2O2/c14-6-3-7(11(16)9(15)4-6)5-1-8-10(2-5)17-18-12(8)13(19)20/h3-5H,1-2H2,(H,17,18)(H,19,20)
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR10a receptor


Bioorg Med Chem Lett 20: 4472-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.041
BindingDB Entry DOI: 10.7270/Q2B858B5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342536
PNG
((R)-2-(2-amino-3-(3-(4-hydroxyphenyl)-1,2,4-oxadia...)
Show SMILES N[C@H](Cc1nc(no1)-c1ccc(O)cc1)C(=O)Nc1ccccc1C(O)=O |r|
Show InChI InChI=1S/C18H16N4O5/c19-13(17(24)20-14-4-2-1-3-12(14)18(25)26)9-15-21-16(22-27-15)10-5-7-11(23)8-6-10/h1-8,13,23H,9,19H2,(H,20,24)(H,25,26)/t13-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342535
PNG
((S)-2-(2-amino-3-(3-(4-hydroxyphenyl)-1,2,4-oxadia...)
Show SMILES N[C@@H](Cc1nc(no1)-c1ccc(O)cc1)C(=O)Nc1ccccc1C(O)=O |r|
Show InChI InChI=1S/C18H16N4O5/c19-13(17(24)20-14-4-2-1-3-12(14)18(25)26)9-15-21-16(22-27-15)10-5-7-11(23)8-6-10/h1-8,13,23H,9,19H2,(H,20,24)(H,25,26)/t13-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50499289
PNG
(CHEMBL3735235)
Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2CN(CCc12)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C32H36N2O4/c1-32(2,3)38-31(36)34-16-15-26-25(22-11-8-12-24(17-22)37-4)14-13-23(29(26)20-34)19-33-30(35)28-18-27(28)21-9-6-5-7-10-21/h5-14,17,27-28H,15-16,18-20H2,1-4H3,(H,33,35)/t27-,28+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate


J Med Chem 58: 9345-53 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277789
PNG
(3-(1H-tetrazol-5-yl)-5-(2,3,5-trifluorophenyl)-1,4...)
Show SMILES Fc1cc(F)c(F)c(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H9F3N6/c14-6-3-7(11(16)9(15)4-6)5-1-8-10(2-5)17-18-12(8)13-19-21-22-20-13/h3-5H,1-2H2,(H,17,18)(H,19,20,21,22)
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n/an/a 70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR10a receptor


Bioorg Med Chem Lett 20: 4472-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.041
BindingDB Entry DOI: 10.7270/Q2B858B5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277790
PNG
(5-(3,5-difluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,...)
Show SMILES Fc1cc(F)cc(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H10F2N6/c14-8-1-6(2-9(15)5-8)7-3-10-11(4-7)16-17-12(10)13-18-20-21-19-13/h1-2,5,7H,3-4H2,(H,16,17)(H,18,19,20,21)
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n/an/a 70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277790
PNG
(5-(3,5-difluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,...)
Show SMILES Fc1cc(F)cc(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H10F2N6/c14-8-1-6(2-9(15)5-8)7-3-10-11(4-7)16-17-12(10)13-18-20-21-19-13/h1-2,5,7H,3-4H2,(H,16,17)(H,18,19,20,21)
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n/an/a 70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277789
PNG
(3-(1H-tetrazol-5-yl)-5-(2,3,5-trifluorophenyl)-1,4...)
Show SMILES Fc1cc(F)c(F)c(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H9F3N6/c14-6-3-7(11(16)9(15)4-6)5-1-8-10(2-5)17-18-12(8)13-19-21-22-20-13/h3-5H,1-2H2,(H,17,18)(H,19,20,21,22)
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n/an/a 70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277789
PNG
(3-(1H-tetrazol-5-yl)-5-(2,3,5-trifluorophenyl)-1,4...)
Show SMILES Fc1cc(F)c(F)c(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H9F3N6/c14-6-3-7(11(16)9(15)4-6)5-1-8-10(2-5)17-18-12(8)13-19-21-22-20-13/h3-5H,1-2H2,(H,17,18)(H,19,20,21,22)
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n/an/a 70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277788
PNG
(5-(3-fluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,6-te...)
Show SMILES Fc1cccc(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H11FN6/c14-9-3-1-2-7(4-9)8-5-10-11(6-8)15-16-12(10)13-17-19-20-18-13/h1-4,8H,5-6H2,(H,15,16)(H,17,18,19,20)
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n/an/a 80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277789
PNG
(3-(1H-tetrazol-5-yl)-5-(2,3,5-trifluorophenyl)-1,4...)
Show SMILES Fc1cc(F)c(F)c(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H9F3N6/c14-6-3-7(11(16)9(15)4-6)5-1-8-10(2-5)17-18-12(8)13-19-21-22-20-13/h3-5H,1-2H2,(H,17,18)(H,19,20,21,22)
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n/an/a 80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277789
PNG
(3-(1H-tetrazol-5-yl)-5-(2,3,5-trifluorophenyl)-1,4...)
Show SMILES Fc1cc(F)c(F)c(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H9F3N6/c14-6-3-7(11(16)9(15)4-6)5-1-8-10(2-5)17-18-12(8)13-19-21-22-20-13/h3-5H,1-2H2,(H,17,18)(H,19,20,21,22)
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n/an/a 80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50323396
PNG
(5-(thiophen-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]p...)
Show SMILES OC(=O)c1n[nH]c2CC(Cc12)c1ccsc1
Show InChI InChI=1S/C11H10N2O2S/c14-11(15)10-8-3-7(4-9(8)12-13-10)6-1-2-16-5-6/h1-2,5,7H,3-4H2,(H,12,13)(H,14,15)
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n/an/a 80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR10a receptor


Bioorg Med Chem Lett 20: 4472-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.041
BindingDB Entry DOI: 10.7270/Q2B858B5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277789
PNG
(3-(1H-tetrazol-5-yl)-5-(2,3,5-trifluorophenyl)-1,4...)
Show SMILES Fc1cc(F)c(F)c(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H9F3N6/c14-6-3-7(11(16)9(15)4-6)5-1-8-10(2-5)17-18-12(8)13-19-21-22-20-13/h3-5H,1-2H2,(H,17,18)(H,19,20,21,22)
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n/an/a 80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR10a receptor


Bioorg Med Chem Lett 20: 4472-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.041
BindingDB Entry DOI: 10.7270/Q2B858B5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50323396
PNG
(5-(thiophen-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]p...)
Show SMILES OC(=O)c1n[nH]c2CC(Cc12)c1ccsc1
Show InChI InChI=1S/C11H10N2O2S/c14-11(15)10-8-3-7(4-9(8)12-13-10)6-1-2-16-5-6/h1-2,5,7H,3-4H2,(H,12,13)(H,14,15)
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n/an/a 90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR10a receptor


Bioorg Med Chem Lett 20: 4472-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.041
BindingDB Entry DOI: 10.7270/Q2B858B5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277752
PNG
(5-(2,3-difluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,...)
Show SMILES Fc1cccc(C2Cc3[nH]nc(c3C2)-c2nnn[nH]2)c1F
Show InChI InChI=1S/C13H10F2N6/c14-9-3-1-2-7(11(9)15)6-4-8-10(5-6)16-17-12(8)13-18-20-21-19-13/h1-3,6H,4-5H2,(H,16,17)(H,18,19,20,21)
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n/an/a 90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342532
PNG
(2-(2-amino-3-(2-(2-chloro-4-hydroxyphenyl)thiazol-...)
Show SMILES NC(Cc1cnc(s1)-c1ccc(O)cc1Cl)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C19H16ClN3O4S/c20-14-7-10(24)5-6-12(14)18-22-9-11(28-18)8-15(21)17(25)23-16-4-2-1-3-13(16)19(26)27/h1-7,9,15,24H,8,21H2,(H,23,25)(H,26,27)
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342526
PNG
(2-((2S)-2-amino-3-(3-(5-hydroxypyridin-2-yl)-1,2,4...)
Show SMILES CC([C@H](N)C(=O)Nc1ccccc1C(O)=O)c1nc(no1)-c1ccc(O)cn1 |r|
Show InChI InChI=1S/C18H17N5O5/c1-9(17-22-15(23-28-17)13-7-6-10(24)8-20-13)14(19)16(25)21-12-5-3-2-4-11(12)18(26)27/h2-9,14,24H,19H2,1H3,(H,21,25)(H,26,27)/t9?,14-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342537
PNG
((R)-2-(3-amino-3-(3-(4-hydroxyphenyl)-1,2,4-oxadia...)
Show SMILES N[C@H](CC(=O)Nc1ccccc1C(O)=O)c1nc(no1)-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C18H16N4O5/c19-13(9-15(24)20-14-4-2-1-3-12(14)18(25)26)17-21-16(22-27-17)10-5-7-11(23)8-6-10/h1-8,13,23H,9,19H2,(H,20,24)(H,25,26)/t13-/m1/s1
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n/an/a 108n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342523
PNG
((S)-2-(3-(3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl...)
Show SMILES CN[C@@H](Cc1nc(no1)-c1ccc(O)cc1)C(=O)Nc1ccccc1C(O)=O |r|
Show InChI InChI=1S/C19H18N4O5/c1-20-15(18(25)21-14-5-3-2-4-13(14)19(26)27)10-16-22-17(23-28-16)11-6-8-12(24)9-7-11/h2-9,15,20,24H,10H2,1H3,(H,21,25)(H,26,27)/t15-/m0/s1
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n/an/a 115n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM360598
PNG
(US9828369, Example 155 | methyl 3-(8-((3-(2,3- dic...)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(CNC(=O)Nc2cccc(Cl)c2Cl)c2cnccc12
Show InChI InChI=1S/C25H19Cl2N3O3/c1-33-24(31)16-5-2-4-15(12-16)18-9-8-17(20-14-28-11-10-19(18)20)13-29-25(32)30-22-7-3-6-21(26)23(22)27/h2-12,14H,13H2,1H3,(H2,29,30,32)
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n/an/a 120n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate


J Med Chem 58: 9345-53 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342534
PNG
(2-(2-amino-3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]...)
Show SMILES NC(Cc1cc2CCc3cc(O)ccc3-n2n1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C21H20N4O4/c22-17(20(27)23-18-4-2-1-3-16(18)21(28)29)11-13-10-14-6-5-12-9-15(26)7-8-19(12)25(14)24-13/h1-4,7-10,17,26H,5-6,11,22H2,(H,23,27)(H,28,29)
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
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/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR10a receptor


Bioorg Med Chem Lett 20: 4472-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.041
BindingDB Entry DOI: 10.7270/Q2B858B5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR10a receptor


Bioorg Med Chem Lett 20: 4472-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.041
BindingDB Entry DOI: 10.7270/Q2B858B5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277752
PNG
(5-(2,3-difluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,...)
Show SMILES Fc1cccc(C2Cc3[nH]nc(c3C2)-c2nnn[nH]2)c1F
Show InChI InChI=1S/C13H10F2N6/c14-9-3-1-2-7(11(9)15)6-4-8-10(5-6)16-17-12(8)13-18-20-21-19-13/h1-3,6H,4-5H2,(H,16,17)(H,18,19,20,21)
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n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277788
PNG
(5-(3-fluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,6-te...)
Show SMILES Fc1cccc(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H11FN6/c14-9-3-1-2-7(4-9)8-5-10-11(6-8)15-16-12(10)13-17-19-20-18-13/h1-4,8H,5-6H2,(H,15,16)(H,17,18,19,20)
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n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
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/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277787
PNG
(5-(3-chlorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,6-te...)
Show SMILES Clc1cccc(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H11ClN6/c14-9-3-1-2-7(4-9)8-5-10-11(6-8)15-16-12(10)13-17-19-20-18-13/h1-4,8H,5-6H2,(H,15,16)(H,17,18,19,20)
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n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
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/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50499288
PNG
(CHEMBL3736485)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2ccccc12 |r|
Show InChI InChI=1S/C29H25NO3/c1-33-29(32)21-11-7-10-20(16-21)24-15-14-22(23-12-5-6-13-25(23)24)18-30-28(31)27-17-26(27)19-8-3-2-4-9-19/h2-16,26-27H,17-18H2,1H3,(H,30,31)/t26-,27+/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate


J Med Chem 58: 9345-53 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50323393
PNG
(5-phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3...)
Show SMILES OC(=O)c1n[nH]c2CC(Cc12)c1ccccc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)12-10-6-9(7-11(10)14-15-12)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15)(H,16,17)
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n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR10a receptor


Bioorg Med Chem Lett 20: 4472-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.041
BindingDB Entry DOI: 10.7270/Q2B858B5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342531
PNG
((S)-2-(2-amino-3-(4'-hydroxybiphenyl-4-yl)propanam...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccc(O)cc1)C(=O)Nc1ccccc1C(O)=O |r|
Show InChI InChI=1S/C22H20N2O4/c23-19(21(26)24-20-4-2-1-3-18(20)22(27)28)13-14-5-7-15(8-6-14)16-9-11-17(25)12-10-16/h1-12,19,25H,13,23H2,(H,24,26)(H,27,28)/t19-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
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