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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 462.9
BDBM152809
Wt: 478.9
BDBM152810
Wt: 446.4
BDBM152811
Wt: 374.4
BDBM152812
Wt: 458.6
BDBM159740
Wt: 467.8
BDBM50058840
Wt: 411.9
BDBM50058841
Wt: 409.9
BDBM50058842
Wt: 440.9
BDBM50058843
Wt: 452.5
BDBM50110589
Wt: 467.5
BDBM50110581
Wt: 466.6
BDBM50110588
Wt: 466.5
BDBM50110637
Wt: 466.6
BDBM50110518
Wt: 392.4
BDBM152807
Displayed 1 to 15 (of 170 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 20 hits in this display   
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
Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2)


(Homo sapiens (Human))
BDBM50058840
PNG
(CHEMBL3325734)
Show SMILES Cl.CS(=O)(=O)N[C@@H](c1ccc(CNC[C@H]2COc3cccnc3O2)cc1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N3O4S.ClH/c1-29(25,26)24-16(18(19,20)21)13-6-4-12(5-7-13)9-22-10-14-11-27-15-3-2-8-23-17(15)28-14;/h2-8,14,16,22,24H,9-11H2,1H3;1H/t14-,16-;/m0./s1
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n/an/a 3.80n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human MoGAT-2 expressed in human Caco2 cells assessed as inhibition of 2-O-Hexadecylglycerol hydrolysis pretreated for 30 mins by LC-MS...


ACS Med Chem Lett 5: 840-1 (2014)


Article DOI: 10.1021/ml500217g
BindingDB Entry DOI: 10.7270/Q2BZ67QZ
More data for this
Ligand-Target Pair
Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2)


(Homo sapiens (Human))
BDBM159740
PNG
(US9035059, 24-11 | US9035059, 24-5/24-6)
Show SMILES CC(C)N1CCc2cc(ccc2C1)S(=O)(=O)Nc1ccc(CCCC2CCCC2)cc1F
Show InChI InChI=1S/C26H35FN2O2S/c1-19(2)29-15-14-22-17-24(12-11-23(22)18-29)32(30,31)28-26-13-10-21(16-25(26)27)9-5-8-20-6-3-4-7-20/h10-13,16-17,19-20,28H,3-9,14-15,18H2,1-2H3
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TAISHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
An MGAT2 inhibition test for test compounds was conducted in accordance with a partially modified version of the method described in John F. Lockwood...


US Patent US9035059 (2015)


BindingDB Entry DOI: 10.7270/Q2B856WH
More data for this
Ligand-Target Pair
Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2)


(Homo sapiens (Human))
BDBM152809
PNG
(US8993568, 5)
Show SMILES CS(=O)(=O)N[C@@H](c1ccc(CN2CCOC(C2)c2ccccc2Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C20H22ClF3N2O3S/c1-30(27,28)25-19(20(22,23)24)15-8-6-14(7-9-15)12-26-10-11-29-18(13-26)16-4-2-3-5-17(16)21/h2-9,18-19,25H,10-13H2,1H3/t18?,19-/m0/s1
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n/an/a 16n/an/an/an/an/a4



Eli Lilly and Company

US Patent


Assay Description
The in vitro inhibitory activity of compounds against human MOGAT-2 is evaluated in this assay. MOGAT-2 transfers an oleoyl group to monooleoyl-glyce...


US Patent US8993568 (2015)


BindingDB Entry DOI: 10.7270/Q2WM1C4M
More data for this
Ligand-Target Pair
Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2)


(Homo sapiens (Human))
BDBM152811
PNG
(US8993568, 14)
Show SMILES CS(=O)(=O)N[C@@H](c1ccc(CN2CCOC(C2)c2ccc(F)cc2)cc1)C(F)(F)F
Show InChI InChI=1S/C20H22F4N2O3S/c1-30(27,28)25-19(20(22,23)24)16-4-2-14(3-5-16)12-26-10-11-29-18(13-26)15-6-8-17(21)9-7-15/h2-9,18-19,25H,10-13H2,1H3/t18?,19-/m0/s1
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Eli Lilly and Company

US Patent


Assay Description
The in vitro inhibitory activity of compounds against human MOGAT-2 is evaluated in this assay. MOGAT-2 transfers an oleoyl group to monooleoyl-glyce...


US Patent US8993568 (2015)


BindingDB Entry DOI: 10.7270/Q2WM1C4M
More data for this
Ligand-Target Pair
Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2)


(Homo sapiens (Human))
BDBM152807
PNG
(BDBM152808 | US8993568, 2)
Show SMILES C[C@@H](NS(C)(=O)=O)c1ccc(CN2CCO[C@H](C2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H25FN2O3S/c1-15(22-27(2,24)25)17-5-3-16(4-6-17)13-23-11-12-26-20(14-23)18-7-9-19(21)10-8-18/h3-10,15,20,22H,11-14H2,1-2H3/t15-,20-/m1/s1
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Eli Lilly and Company

US Patent


Assay Description
The in vitro inhibitory activity of compounds against human MOGAT-2 is evaluated in this assay. MOGAT-2 transfers an oleoyl group to monooleoyl-glyce...


US Patent US8993568 (2015)


BindingDB Entry DOI: 10.7270/Q2WM1C4M
More data for this
Ligand-Target Pair
Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2)


(Homo sapiens (Human))
BDBM159740
PNG
(US9035059, 24-11 | US9035059, 24-5/24-6)
Show SMILES CC(C)N1CCc2cc(ccc2C1)S(=O)(=O)Nc1ccc(CCCC2CCCC2)cc1F
Show InChI InChI=1S/C26H35FN2O2S/c1-19(2)29-15-14-22-17-24(12-11-23(22)18-29)32(30,31)28-26-13-10-21(16-25(26)27)9-5-8-20-6-3-4-7-20/h10-13,16-17,19-20,28H,3-9,14-15,18H2,1-2H3
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TAISHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
An MGAT2 inhibition test for test compounds was conducted in accordance with a partially modified version of the method described in John F. Lockwood...


US Patent US9035059 (2015)


BindingDB Entry DOI: 10.7270/Q2B856WH
More data for this
Ligand-Target Pair
Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2)


(Homo sapiens (Human))
BDBM152812
PNG
(US8993568, 16)
Show SMILES C[C@@H](NS(C)(=O)=O)c1ccc(CN2CCO[C@H](C2)c2ccccc2)cc1
Show InChI InChI=1S/C20H26N2O3S/c1-16(21-26(2,23)24)18-10-8-17(9-11-18)14-22-12-13-25-20(15-22)19-6-4-3-5-7-19/h3-11,16,20-21H,12-15H2,1-2H3/t16-,20-/m1/s1
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n/an/a 94n/an/an/an/an/a4



Eli Lilly and Company

US Patent


Assay Description
The in vitro inhibitory activity of compounds against human MOGAT-2 is evaluated in this assay. MOGAT-2 transfers an oleoyl group to monooleoyl-glyce...


US Patent US8993568 (2015)


BindingDB Entry DOI: 10.7270/Q2WM1C4M
More data for this
Ligand-Target Pair
Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2)


(Homo sapiens (Human))
BDBM152810
PNG
(US8993568, 11)
Show SMILES C[C@@H](NS(C)(=O)=O)c1ccc(CN2CCOC(C2)c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H25F3N2O3S.ClH/c1-15(25-30(2,27)28)17-8-6-16(7-9-17)13-26-10-11-29-20(14-26)18-4-3-5-19(12-18)21(22,23)24;/h3-9,12,15,20,25H,10-11,13-14H2,1-2H3;1H/t15-,20?;/m1./s1
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n/an/a 98n/an/an/an/an/a4



Eli Lilly and Company

US Patent


Assay Description
The in vitro inhibitory activity of compounds against human MOGAT-2 is evaluated in this assay. MOGAT-2 transfers an oleoyl group to monooleoyl-glyce...


US Patent US8993568 (2015)


BindingDB Entry DOI: 10.7270/Q2WM1C4M
More data for this
Ligand-Target Pair
Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2)


(Homo sapiens (Human))
BDBM50058842
PNG
(CHEMBL3325736)
Show SMILES Cl.C[C@@H](NS(C)(=O)=O)c1ccc(CNC2CCN(C2)c2ccccc2)cc1
Show InChI InChI=1S/C20H27N3O2S.ClH/c1-16(22-26(2,24)25)18-10-8-17(9-11-18)14-21-19-12-13-23(15-19)20-6-4-3-5-7-20;/h3-11,16,19,21-22H,12-15H2,1-2H3;1H/t16-,19?;/m1./s1
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n/an/a 105n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human MoGAT-2 expressed in human Caco2 cells assessed as inhibition of 2-O-Hexadecylglycerol hydrolysis pretreated for 30 mins by LC-MS...


ACS Med Chem Lett 5: 840-1 (2014)


Article DOI: 10.1021/ml500217g
BindingDB Entry DOI: 10.7270/Q2BZ67QZ
More data for this
Ligand-Target Pair
Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2)


(Homo sapiens (Human))
BDBM159740
PNG
(US9035059, 24-11 | US9035059, 24-5/24-6)
Show SMILES CC(C)N1CCc2cc(ccc2C1)S(=O)(=O)Nc1ccc(CCCC2CCCC2)cc1F
Show InChI InChI=1S/C26H35FN2O2S/c1-19(2)29-15-14-22-17-24(12-11-23(22)18-29)32(30,31)28-26-13-10-21(16-25(26)27)9-5-8-20-6-3-4-7-20/h10-13,16-17,19-20,28H,3-9,14-15,18H2,1-2H3
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n/an/a 159n/an/an/an/an/a25



TAISHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
An MGAT2 inhibition test for test compounds was conducted in accordance with a partially modified version of the method described in John F. Lockwood...


US Patent US9035059 (2015)


BindingDB Entry DOI: 10.7270/Q2B856WH
More data for this
Ligand-Target Pair
Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2)


(Homo sapiens (Human))
BDBM152807
PNG
(BDBM152808 | US8993568, 2)
Show SMILES C[C@@H](NS(C)(=O)=O)c1ccc(CN2CCO[C@H](C2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H25FN2O3S/c1-15(22-27(2,24)25)17-5-3-16(4-6-17)13-23-11-12-26-20(14-23)18-7-9-19(21)10-8-18/h3-10,15,20,22H,11-14H2,1-2H3/t15-,20-/m1/s1
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Eli Lilly and Company

US Patent


Assay Description
The in vitro inhibitory activity of compounds against human MOGAT-2 is evaluated in this assay. MOGAT-2 transfers an oleoyl group to monooleoyl-glyce...


US Patent US8993568 (2015)


BindingDB Entry DOI: 10.7270/Q2WM1C4M
More data for this
Ligand-Target Pair
Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2)


(Homo sapiens (Human))
BDBM50058843
PNG
(CHEMBL3325737)
Show SMILES Cl.C[C@@H](NS(C)(=O)=O)c1ccc(CNC[C@@H]2CO[C@H](CO2)c2ccccc2)cc1
Show InChI InChI=1S/C21H28N2O4S.ClH/c1-16(23-28(2,24)25)18-10-8-17(9-11-18)12-22-13-20-14-27-21(15-26-20)19-6-4-3-5-7-19;/h3-11,16,20-23H,12-15H2,1-2H3;1H/t16-,20-,21-;/m1./s1
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n/an/a 294n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human MoGAT-2 expressed in human Caco2 cells assessed as inhibition of 2-O-Hexadecylglycerol hydrolysis pretreated for 30 mins by LC-MS...


ACS Med Chem Lett 5: 840-1 (2014)


Article DOI: 10.1021/ml500217g
BindingDB Entry DOI: 10.7270/Q2BZ67QZ
More data for this
Ligand-Target Pair
Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2)


(Homo sapiens (Human))
BDBM50058841
PNG
(CHEMBL3325735)
Show SMILES Cl.C[C@@H](NS(C)(=O)=O)c1ccc(CNCC2COc3ccccc3N2)cc1
Show InChI InChI=1S/C19H25N3O3S.ClH/c1-14(22-26(2,23)24)16-9-7-15(8-10-16)11-20-12-17-13-25-19-6-4-3-5-18(19)21-17;/h3-10,14,17,20-22H,11-13H2,1-2H3;1H/t14-,17?;/m1./s1
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n/an/a 479n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human MoGAT-2 expressed in human Caco2 cells assessed as inhibition of 2-O-Hexadecylglycerol hydrolysis pretreated for 30 mins by LC-MS...


ACS Med Chem Lett 5: 840-1 (2014)


Article DOI: 10.1021/ml500217g
BindingDB Entry DOI: 10.7270/Q2BZ67QZ
More data for this
Ligand-Target Pair
Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2)


(Homo sapiens (Human))
BDBM50110581
PNG
(CHEMBL3605819)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H26FN3O3S/c1-25(2,3)19-5-9-21(10-6-19)27-24(30)29-15-17-4-13-23(14-18(17)16-29)33(31,32)28-22-11-7-20(26)8-12-22/h4-14,28H,15-16H2,1-3H3,(H,27,30)
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n/an/a 594n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MGAT2 assessed as reduction in enzyme-mediated deacylation of oleoyl-CoA incubated for 20 mins by CPM dye based fluor...


Bioorg Med Chem 23: 5922-31 (2015)


Article DOI: 10.1016/j.bmc.2015.06.065
BindingDB Entry DOI: 10.7270/Q2639RJ6
More data for this
Ligand-Target Pair
2-acylglycerol O-acyltransferase 2


(Mus musculus)
BDBM50110518
PNG
(CHEMBL3605835)
Show SMILES CC(C)(C)c1ccc(CCN2CCc3cc(ccc3C2)S(=O)(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H31FN2O2S/c1-27(2,3)23-7-4-20(5-8-23)14-16-30-17-15-21-18-26(13-6-22(21)19-30)33(31,32)29-25-11-9-24(28)10-12-25/h4-13,18,29H,14-17,19H2,1-3H3
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n/an/a 1.17E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant MGAT2 assessed as reduction in enzyme-mediated deacylation of oleoyl-CoA incubated for 20 mins by CPM dye based fluor...


Bioorg Med Chem 23: 5922-31 (2015)


Article DOI: 10.1016/j.bmc.2015.06.065
BindingDB Entry DOI: 10.7270/Q2639RJ6
More data for this
Ligand-Target Pair
2-acylglycerol O-acyltransferase 2


(Mus musculus)
BDBM50110581
PNG
(CHEMBL3605819)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H26FN3O3S/c1-25(2,3)19-5-9-21(10-6-19)27-24(30)29-15-17-4-13-23(14-18(17)16-29)33(31,32)28-22-11-7-20(26)8-12-22/h4-14,28H,15-16H2,1-3H3,(H,27,30)
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n/an/a 1.31E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant MGAT2 assessed as reduction in enzyme-mediated deacylation of oleoyl-CoA incubated for 20 mins by CPM dye based fluor...


Bioorg Med Chem 23: 5922-31 (2015)


Article DOI: 10.1016/j.bmc.2015.06.065
BindingDB Entry DOI: 10.7270/Q2639RJ6
More data for this
Ligand-Target Pair
Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2)


(Homo sapiens (Human))
BDBM50110518
PNG
(CHEMBL3605835)
Show SMILES CC(C)(C)c1ccc(CCN2CCc3cc(ccc3C2)S(=O)(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H31FN2O2S/c1-27(2,3)23-7-4-20(5-8-23)14-16-30-17-15-21-18-26(13-6-22(21)19-30)33(31,32)29-25-11-9-24(28)10-12-25/h4-13,18,29H,14-17,19H2,1-3H3
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n/an/a 1.52E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MGAT2 assessed as reduction in enzyme-mediated deacylation of oleoyl-CoA incubated for 20 mins by CPM dye based fluor...


Bioorg Med Chem 23: 5922-31 (2015)


Article DOI: 10.1016/j.bmc.2015.06.065
BindingDB Entry DOI: 10.7270/Q2639RJ6
More data for this
Ligand-Target Pair
Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2)


(Homo sapiens (Human))
BDBM50110589
PNG
(CHEMBL3605833)
Show SMILES CC(C)(C)c1ccc(CCN2Cc3ccc(cc3C2)S(=O)(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H29FN2O2S/c1-26(2,3)22-7-4-19(5-8-22)14-15-29-17-20-6-13-25(16-21(20)18-29)32(30,31)28-24-11-9-23(27)10-12-24/h4-13,16,28H,14-15,17-18H2,1-3H3
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n/an/a 2.12E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MGAT2 assessed as reduction in enzyme-mediated deacylation of oleoyl-CoA incubated for 20 mins by CPM dye based fluor...


Bioorg Med Chem 23: 5922-31 (2015)


Article DOI: 10.1016/j.bmc.2015.06.065
BindingDB Entry DOI: 10.7270/Q2639RJ6
More data for this
Ligand-Target Pair
Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2)


(Homo sapiens (Human))
BDBM50110588
PNG
(CHEMBL3605834)
Show SMILES CC(C)(C)c1ccc(CCN2CCc3ccc(cc3C2)S(=O)(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H31FN2O2S/c1-27(2,3)23-7-4-20(5-8-23)14-16-30-17-15-21-6-13-26(18-22(21)19-30)33(31,32)29-25-11-9-24(28)10-12-25/h4-13,18,29H,14-17,19H2,1-3H3
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n/an/a 3.06E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MGAT2 assessed as reduction in enzyme-mediated deacylation of oleoyl-CoA incubated for 20 mins by CPM dye based fluor...


Bioorg Med Chem 23: 5922-31 (2015)


Article DOI: 10.1016/j.bmc.2015.06.065
BindingDB Entry DOI: 10.7270/Q2639RJ6
More data for this
Ligand-Target Pair
Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2)


(Homo sapiens (Human))
BDBM50110637
PNG
(CHEMBL3605832)
Show SMILES CC(C)(C)c1ccc(CC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H27FN2O3S/c1-26(2,3)21-7-4-18(5-8-21)14-25(30)29-16-19-6-13-24(15-20(19)17-29)33(31,32)28-23-11-9-22(27)10-12-23/h4-13,15,28H,14,16-17H2,1-3H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.07E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MGAT2 assessed as reduction in enzyme-mediated deacylation of oleoyl-CoA incubated for 20 mins by CPM dye based fluor...


Bioorg Med Chem 23: 5922-31 (2015)


Article DOI: 10.1016/j.bmc.2015.06.065
BindingDB Entry DOI: 10.7270/Q2639RJ6
More data for this
Ligand-Target Pair