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PubMed code 25897973

Compile data set for download or QSAR
Found 29 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
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090510
PNG
(CHEMBL3581716)
Show SMILES CC(=O)Nc1cc(cc2CCN(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H23F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,13-15,28H,9-12H2,1H3,(H,27,30)
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n/an/a 1n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090666
PNG
(CHEMBL3581717)
Show SMILES CC(=O)Nc1cc(cc2CCN(CCc3ccc(F)cc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H22F3N3O3S/c1-15(31)28-23-14-20(34(32,33)29-22-7-6-19(26)13-21(22)27)12-17-9-11-30(24(17)23)10-8-16-2-4-18(25)5-3-16/h2-7,12-14,29H,8-11H2,1H3,(H,28,31)
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n/an/a 1.20n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090665
PNG
(CHEMBL3581718)
Show SMILES CC(=O)Nc1cc(cc2ccn(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H21F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,10,12-15,28H,9,11H2,1H3,(H,27,30)
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n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090687
PNG
(CHEMBL3581715)
Show SMILES COc1ccc(NS(=O)(=O)c2cc3CCN(CCc4ccccc4)c3c(NC(C)=O)c2)cc1
Show InChI InChI=1S/C19H23N5O4/c1-10(2)11-5-3-4-6-12(11)23-17-14-18(21-8-20-17)24(9-22-14)19-16(27)15(26)13(7-25)28-19/h3-6,8-10,13,15-16,19,25-27H,7H2,1-2H3,(H,20,21,23)/t13?,15?,16?,19-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090648
PNG
(CHEMBL3581732)
Show SMILES Fc1ccc(NS(=O)(=O)c2cc3CCN(C(=O)OCc4ccccc4)c3c(c2)N2CCCNC2=O)c(F)c1
Show InChI InChI=1S/C26H24F2N4O5S/c27-19-7-8-22(21(28)14-19)30-38(35,36)20-13-18-9-12-32(26(34)37-16-17-5-2-1-3-6-17)24(18)23(15-20)31-11-4-10-29-25(31)33/h1-3,5-8,13-15,30H,4,9-12,16H2,(H,29,33)
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n/an/a 2.20n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090514
PNG
(CHEMBL3581736)
Show SMILES Fc1ccc(NS(=O)(=O)c2cc3CCN(C(=O)Nc4ccc(cc4)C(F)(F)F)c3c(c2)N2CCNC2=O)c(F)c1
Show InChI InChI=1S/C25H20F5N5O4S/c26-16-3-6-20(19(27)12-16)33-40(38,39)18-11-14-7-9-35(22(14)21(13-18)34-10-8-31-23(34)36)24(37)32-17-4-1-15(2-5-17)25(28,29)30/h1-6,11-13,33H,7-10H2,(H,31,36)(H,32,37)
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n/an/a 2.5n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090617
PNG
(CHEMBL3581734)
Show SMILES Fc1ccc(NS(=O)(=O)c2cc3CCN(C(=O)Nc4ccc(cc4)C(F)(F)F)c3c(c2)N2CCCC2=O)c(F)c1
Show InChI InChI=1S/C26H21F5N4O4S/c27-17-5-8-21(20(28)13-17)33-40(38,39)19-12-15-9-11-35(24(15)22(14-19)34-10-1-2-23(34)36)25(37)32-18-6-3-16(4-7-18)26(29,30)31/h3-8,12-14,33H,1-2,9-11H2,(H,32,37)
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n/an/a 3.10n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090650
PNG
(CHEMBL3581730)
Show SMILES Fc1ccc(NS(=O)(=O)c2cc3CCN(C(=O)OCc4ccccc4)c3c(c2)N2CCNC2=O)c(F)c1
Show InChI InChI=1S/C25H22F2N4O5S/c26-18-6-7-21(20(27)13-18)29-37(34,35)19-12-17-8-10-31(25(33)36-15-16-4-2-1-3-5-16)23(17)22(14-19)30-11-9-28-24(30)32/h1-7,12-14,29H,8-11,15H2,(H,28,32)
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n/an/a 3.40n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090616
PNG
(CHEMBL3581735)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCc3cc(cc(N4CCCC4=O)c23)S(=O)(=O)Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C29H30F2N4O4S/c1-29(2,3)19-6-9-21(10-7-19)32-28(37)35-14-12-18-15-22(17-25(27(18)35)34-13-4-5-26(34)36)40(38,39)33-24-11-8-20(30)16-23(24)31/h6-11,15-17,33H,4-5,12-14H2,1-3H3,(H,32,37)
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n/an/a 3.60n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090656
PNG
(CHEMBL3581724)
Show SMILES CC(=O)Nc1cc(cc2CCN(CCCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3/t15?,20-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090653
PNG
(CHEMBL3581727)
Show SMILES Fc1ccc(NS(=O)(=O)c2cc3CCN(CCc4ccccc4)c3c(c2)N2CCCC2=O)c(F)c1
Show InChI InChI=1S/C26H25F2N3O3S/c27-20-8-9-23(22(28)16-20)29-35(33,34)21-15-19-11-14-30(13-10-18-5-2-1-3-6-18)26(19)24(17-21)31-12-4-7-25(31)32/h1-3,5-6,8-9,15-17,29H,4,7,10-14H2
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n/an/a 6.70n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090652
PNG
(CHEMBL3581728)
Show SMILES Fc1ccc(NS(=O)(=O)c2cc3CCN(CCc4ccccc4)c3c(c2)N2CCCCC2=O)c(F)c1
Show InChI InChI=1S/C27H27F2N3O3S/c28-21-9-10-24(23(29)17-21)30-36(34,35)22-16-20-12-15-31(14-11-19-6-2-1-3-7-19)27(20)25(18-22)32-13-5-4-8-26(32)33/h1-3,6-7,9-10,16-18,30H,4-5,8,11-15H2
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n/an/a 7.30n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090649
PNG
(CHEMBL3581731)
Show SMILES Fc1ccc(NS(=O)(=O)c2cc3CCN(C(=O)OCc4ccccc4)c3c(c2)N2CCCCC2=O)c(F)c1
Show InChI InChI=1S/C27H25F2N3O5S/c28-20-9-10-23(22(29)15-20)30-38(35,36)21-14-19-11-13-32(27(34)37-17-18-6-2-1-3-7-18)26(19)24(16-21)31-12-5-4-8-25(31)33/h1-3,6-7,9-10,14-16,30H,4-5,8,11-13,17H2
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n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090651
PNG
(CHEMBL3581729)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)c(c2)N2CCCC2=O)c(F)c1
Show InChI InChI=1S/C24H21F2N3O5S/c25-17-8-10-20(19(26)13-17)28-35(32,33)18-9-11-21(22(14-18)29-12-4-7-23(29)30)27-24(31)34-15-16-5-2-1-3-6-16/h1-3,5-6,8-11,13-14,28H,4,7,12,15H2,(H,27,31)
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n/an/a 14n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090657
PNG
(CHEMBL3581723)
Show SMILES CC(=O)Nc1cc(cc2CCN(Cc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C23H21F2N3O3S/c1-15(29)26-22-13-19(32(30,31)27-21-8-7-18(24)12-20(21)25)11-17-9-10-28(23(17)22)14-16-5-3-2-4-6-16/h2-8,11-13,27H,9-10,14H2,1H3,(H,26,29)
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n/an/a 23n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090618
PNG
(CHEMBL3581733)
Show SMILES Fc1ccc(NC(=O)N2CCc3cc(cc(N4CCCC4=O)c23)S(=O)(=O)Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C25H21F3N4O4S/c26-16-3-6-18(7-4-16)29-25(34)32-11-9-15-12-19(14-22(24(15)32)31-10-1-2-23(31)33)37(35,36)30-21-8-5-17(27)13-20(21)28/h3-8,12-14,30H,1-2,9-11H2,(H,29,34)
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n/an/a 28n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090662
PNG
(CHEMBL3581719)
Show SMILES CC(=O)Nc1cc(cc2cnn(CCc3ccc(F)cc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C23H19F3N4O3S/c1-14(31)28-22-12-19(34(32,33)29-21-7-6-18(25)11-20(21)26)10-16-13-27-30(23(16)22)9-8-15-2-4-17(24)5-3-15/h2-7,10-13,29H,8-9H2,1H3,(H,28,31)
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n/an/a 41n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090511
PNG
(CHEMBL3581739)
Show SMILES Fc1ccc(NS(=O)(=O)c2cc3CCN(C(=O)OCc4ccccc4)c3c(c2)N2CCOC2=O)c(F)c1
Show InChI InChI=1S/C25H21F2N3O6S/c26-18-6-7-21(20(27)13-18)28-37(33,34)19-12-17-8-9-30(25(32)36-15-16-4-2-1-3-5-16)23(17)22(14-19)29-10-11-35-24(29)31/h1-7,12-14,28H,8-11,15H2
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n/an/a 43n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090654
PNG
(CHEMBL3581726)
Show SMILES CNc1cc(cc2CCN(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C23H23F2N3O2S/c1-26-22-15-19(31(29,30)27-21-8-7-18(24)14-20(21)25)13-17-10-12-28(23(17)22)11-9-16-5-3-2-4-6-16/h2-8,13-15,26-27H,9-12H2,1H3
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n/an/a 130n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090513
PNG
(CHEMBL3581737)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)COc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H22N2O5S/c1-16-8-13-20(30(26,27)24-17-9-11-18(28-2)12-10-17)14-21(16)23-22(25)15-29-19-6-4-3-5-7-19/h3-14,24H,15H2,1-2H3,(H,23,25)
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n/an/a 130n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090512
PNG
(CHEMBL3581738)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc(OCCc3ccccc3)c(NC(C)=O)c2)cc1
Show InChI InChI=1S/C23H24N2O5S/c1-17(26)24-22-16-21(31(27,28)25-19-8-10-20(29-2)11-9-19)12-13-23(22)30-15-14-18-6-4-3-5-7-18/h3-13,16,25H,14-15H2,1-2H3,(H,24,26)
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n/an/a 130n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090661
PNG
(CHEMBL3581720)
Show SMILES CC(=O)Nc1cc(cc2ncn(CCc3ccc(F)cc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C19H18O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,12,15,20,22H,11H2,1H3/t12-,15?/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090655
PNG
(CHEMBL3581725)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccc3N(CCc4ccccc4)CCc3c2)c(F)c1
Show InChI InChI=1S/C22H20F2N2O2S/c23-18-6-8-21(20(24)15-18)25-29(27,28)19-7-9-22-17(14-19)11-13-26(22)12-10-16-4-2-1-3-5-16/h1-9,14-15,25H,10-13H2
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n/an/a 270n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090658
PNG
(CHEMBL3581722)
Show SMILES CC(=O)Nc1cc(cc2oc(=O)n(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C19H18O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,12,15,20,22H,11H2,1H3/t12-,15?/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090659
PNG
(CHEMBL3581721)
Show SMILES CC(=O)Nc1cc(cc2nc(C)n(CCc3ccc(F)cc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H21F3N4O3S/c1-14-28-22-12-19(35(33,34)30-21-8-7-18(26)11-20(21)27)13-23(29-15(2)32)24(22)31(14)10-9-16-3-5-17(25)6-4-16/h3-8,11-13,30H,9-10H2,1-2H3,(H,29,32)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50090510
PNG
(CHEMBL3581716)
Show SMILES CC(=O)Nc1cc(cc2CCN(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H23F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,13-15,28H,9-12H2,1H3,(H,27,30)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human DGAT1 transfected in Sf-21 cells using [1-14C]oleoyl-CoA assessed as incorporation of radioactivity into lip...


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase


(Homo sapiens)
BDBM50090510
PNG
(CHEMBL3581716)
Show SMILES CC(=O)Nc1cc(cc2CCN(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H23F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,13-15,28H,9-12H2,1H3,(H,27,30)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT3 transfected in Sf-21 cells using [1-14C]oleoyl-CoA assessed as incorporation of radioactivity into lip...


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (human))
BDBM50090510
PNG
(CHEMBL3581716)
Show SMILES CC(=O)Nc1cc(cc2CCN(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H23F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,13-15,28H,9-12H2,1H3,(H,27,30)
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human DGAT2 transfected in Sf-21 cells using [1-14C]oleoyl-CoA assessed as incorporation of radioactivity into lip...


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50090510
PNG
(CHEMBL3581716)
Show SMILES CC(=O)Nc1cc(cc2CCN(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H23F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,13-15,28H,9-12H2,1H3,(H,27,30)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human ACAT1 transfected in Sf-21 cells using [1-14C]oleoyl-CoA assessed as incorporation of radioactivity into lip...


J Med Chem 58: 3892-909 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00178
BindingDB Entry DOI: 10.7270/Q2XK8H94
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%