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Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'minagawa' and Initial = 't'   
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
2-acylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM159695
PNG
(US9035059, 14-18)
Show SMILES CCCCCOc1ccc(NS(=O)(=O)c2ccc3CN(Cc3c2)C(=O)Nc2ccc(cc2)C(C)(C)C)c(F)c1
Show InChI InChI=1S/C30H36FN3O4S/c1-5-6-7-16-38-25-13-15-28(27(31)18-25)33-39(36,37)26-14-8-21-19-34(20-22(21)17-26)29(35)32-24-11-9-23(10-12-24)30(2,3)4/h8-15,17-18,33H,5-7,16,19-20H2,1-4H3,(H,32,35)
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n/an/a 147n/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


(Homo sapiens (Human))
BDBM159694
PNG
(US9035059, 14-16)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc3CN(Cc3c2)C(=O)Nc2ccc(cc2)C(C)(C)C)c(F)c1
Show InChI InChI=1S/C26H28FN3O4S/c1-26(2,3)19-6-8-20(9-7-19)28-25(31)30-15-17-5-11-22(13-18(17)16-30)35(32,33)29-24-12-10-21(34-4)14-23(24)27/h5-14,29H,15-16H2,1-4H3,(H,28,31)
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n/an/a 164n/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


(Homo sapiens (Human))
BDBM159693
PNG
(US9035059, 14-9)
Show SMILES COc1cc(F)ccc1NS(=O)(=O)c1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C26H28FN3O4S/c1-26(2,3)19-6-9-21(10-7-19)28-25(31)30-15-17-5-11-22(13-18(17)16-30)35(32,33)29-23-12-8-20(27)14-24(23)34-4/h5-14,29H,15-16H2,1-4H3,(H,28,31)
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n/an/a 168n/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


(Homo sapiens (Human))
BDBM50110678
PNG
(CHEMBL3605830)
Show SMILES CCCCOc1ccc(NS(=O)(=O)c2ccc3CN(Cc3c2)C(=O)Nc2ccc(cc2)C(C)(C)C)c(F)c1
Show InChI InChI=1S/C29H34FN3O4S/c1-5-6-15-37-24-12-14-27(26(30)17-24)32-38(35,36)25-13-7-20-18-33(19-21(20)16-25)28(34)31-23-10-8-22(9-11-23)29(2,3)4/h7-14,16-17,32H,5-6,15,18-19H2,1-4H3,(H,31,34)
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n/an/a 547n/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


(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


(Homo sapiens (Human))
BDBM50110697
PNG
(CHEMBL3605820)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C25H25F2N3O3S/c1-25(2,3)18-5-8-20(9-6-18)28-24(31)30-14-16-4-10-21(12-17(16)15-30)34(32,33)29-23-11-7-19(26)13-22(23)27/h4-13,29H,14-15H2,1-3H3,(H,28,31)
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n/an/a 685n/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


(Homo sapiens (Human))
BDBM50110688
PNG
(CHEMBL3605824)
Show SMILES CCOc1cc(F)ccc1NS(=O)(=O)c1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C27H30FN3O4S/c1-5-35-25-15-21(28)9-13-24(25)30-36(33,34)23-12-6-18-16-31(17-19(18)14-23)26(32)29-22-10-7-20(8-11-22)27(2,3)4/h6-15,30H,5,16-17H2,1-4H3,(H,29,32)
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n/an/a 733n/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


(Homo sapiens (Human))
BDBM50110691
PNG
(CHEMBL3605821)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2ccc(F)cc2Cl)cc1
Show InChI InChI=1S/C25H25ClFN3O3S/c1-25(2,3)18-5-8-20(9-6-18)28-24(31)30-14-16-4-10-21(12-17(16)15-30)34(32,33)29-23-11-7-19(27)13-22(23)26/h4-13,29H,14-15H2,1-3H3,(H,28,31)
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n/an/a 1.11E+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
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
2-acylglycerol O-acyltransferase 2


(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
2-acylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50110679
PNG
(CHEMBL3605829)
Show SMILES CCCOc1ccc(NS(=O)(=O)c2ccc3CN(Cc3c2)C(=O)Nc2ccc(cc2)C(C)(C)C)c(F)c1
Show InChI InChI=1S/C28H32FN3O4S/c1-5-14-36-23-11-13-26(25(29)16-23)31-37(34,35)24-12-6-19-17-32(18-20(19)15-24)27(33)30-22-9-7-21(8-10-22)28(2,3)4/h6-13,15-16,31H,5,14,17-18H2,1-4H3,(H,30,33)
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n/an/a 1.98E+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
2-acylglycerol O-acyltransferase 2


(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
2-acylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50110684
PNG
(CHEMBL3605825)
Show SMILES CCCOc1cc(F)ccc1NS(=O)(=O)c1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H32FN3O4S/c1-5-14-36-26-16-22(29)9-13-25(26)31-37(34,35)24-12-6-19-17-32(18-20(19)15-24)27(33)30-23-10-7-21(8-11-23)28(2,3)4/h6-13,15-16,31H,5,14,17-18H2,1-4H3,(H,30,33)
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n/an/a 2.30E+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
2-acylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50110689
PNG
(CHEMBL3605822)
Show SMILES CCc1cc(F)ccc1NS(=O)(=O)c1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C27H30FN3O3S/c1-5-18-14-22(28)9-13-25(18)30-35(33,34)24-12-6-19-16-31(17-20(19)15-24)26(32)29-23-10-7-21(8-11-23)27(2,3)4/h6-15,30H,5,16-17H2,1-4H3,(H,29,32)
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n/an/a 2.49E+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
2-acylglycerol O-acyltransferase 2


(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
2-acylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50110683
PNG
(CHEMBL3605826)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc3CN(Cc3c2)C(=O)Nc2ccc(cc2)C(C)(C)C)c(OC)c1
Show InChI InChI=1S/C27H31N3O5S/c1-27(2,3)20-7-9-21(10-8-20)28-26(31)30-16-18-6-12-23(14-19(18)17-30)36(32,33)29-24-13-11-22(34-4)15-25(24)35-5/h6-15,29H,16-17H2,1-5H3,(H,28,31)
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n/an/a 3.16E+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
2-acylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50110680
PNG
(CHEMBL3605828)
Show SMILES CCOc1ccc(NS(=O)(=O)c2ccc3CN(Cc3c2)C(=O)Nc2ccc(cc2)C(C)(C)C)c(F)c1
Show InChI InChI=1S/C27H30FN3O4S/c1-5-35-22-11-13-25(24(28)15-22)30-36(33,34)23-12-6-18-16-31(17-19(18)14-23)26(32)29-21-9-7-20(8-10-21)27(2,3)4/h6-15,30H,5,16-17H2,1-4H3,(H,29,32)
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n/an/a 5.20E+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
2-acylglycerol O-acyltransferase 2


(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
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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