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Patent code US10065945

Compile Data Set for Download or QSAR
Found 9 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))
BDBM272063
PNG
(US10065945, Example 57)
Show SMILES C[C@@H](N1CCc2ccc(cc2C1)S(=O)(=O)Nc1nc(no1)C(=O)N1CCCC1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C24H25F2N5O4S/c1-15(17-10-19(25)13-20(26)11-17)31-9-6-16-4-5-21(12-18(16)14-31)36(33,34)29-24-27-22(28-35-24)23(32)30-7-2-3-8-30/h4-5,10-13,15H,2-3,6-9,14H2,1H3,(H,27,28,29)/t15-/m1/s1
PDB

UniProtKB/SwissProt

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n/an/a 1.60n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methyl...


US Patent US10065945 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM272061
PNG
(US10065945, Example 55)
Show SMILES C[C@@H](N1CCc2ccc(cc2C1)S(=O)(=O)Nc1nc(no1)C(=O)N1CCC1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C23H23F2N5O4S/c1-14(16-9-18(24)12-19(25)10-16)30-8-5-15-3-4-20(11-17(15)13-30)35(32,33)28-23-26-21(27-34-23)22(31)29-6-2-7-29/h3-4,9-12,14H,2,5-8,13H2,1H3,(H,26,27,28)/t14-/m1/s1
PDB

UniProtKB/SwissProt

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UniChem
n/an/a 3.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methyl...


US Patent US10065945 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM272062
PNG
(US10065945, Example 56)
Show SMILES C[C@@H](N1CCc2ccc(cc2C1)S(=O)(=O)Nc1nc(no1)C(=O)N(C)C)c1cc(F)cc(F)c1
Show InChI InChI=1S/C22H23F2N5O4S/c1-13(15-8-17(23)11-18(24)9-15)29-7-6-14-4-5-19(10-16(14)12-29)34(31,32)27-22-25-20(26-33-22)21(30)28(2)3/h4-5,8-11,13H,6-7,12H2,1-3H3,(H,25,26,27)/t13-/m1/s1
PDB

UniProtKB/SwissProt

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UniChem
n/an/a 5.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methyl...


US Patent US10065945 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM272059
PNG
(US10065945, Example 53)
Show SMILES CCNC(=O)c1noc(NS(=O)(=O)c2ccc3CCN(Cc3c2)[C@H](C)c2cc(F)cc(F)c2)n1
Show InChI InChI=1S/C22H23F2N5O4S/c1-3-25-21(30)20-26-22(33-27-20)28-34(31,32)19-5-4-14-6-7-29(12-16(14)10-19)13(2)15-8-17(23)11-18(24)9-15/h4-5,8-11,13H,3,6-7,12H2,1-2H3,(H,25,30)(H,26,27,28)/t13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
n/an/a 7.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methyl...


US Patent US10065945 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM271895
PNG
(US10065945, Example 7)
Show SMILES CCc1noc(NS(=O)(=O)c2ccc3CCN(Cc3c2)[C@H](C)c2ccc(OCC(F)(F)F)nc2)n1
Show InChI InChI=1S/C22H24F3N5O4S/c1-3-19-27-21(34-28-19)29-35(31,32)18-6-4-15-8-9-30(12-17(15)10-18)14(2)16-5-7-20(26-11-16)33-13-22(23,24)25/h4-7,10-11,14H,3,8-9,12-13H2,1-2H3,(H,27,28,29)/t14-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
n/an/a 8.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methyl...


US Patent US10065945 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM271894
PNG
(US10065945, Example 6)
Show SMILES C[C@@H](N1CCc2ccc(cc2C1)S(=O)(=O)Nc1noc(n1)-c1ccccc1)c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C26H24F3N5O4S/c1-17(20-8-10-23(30-14-20)37-16-26(27,28)29)34-12-11-18-7-9-22(13-21(18)15-34)39(35,36)33-25-31-24(38-32-25)19-5-3-2-4-6-19/h2-10,13-14,17H,11-12,15-16H2,1H3,(H,32,33)/t17-/m1/s1
PDB

UniProtKB/SwissProt

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UniChem
n/an/a 9.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methyl...


US Patent US10065945 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM272058
PNG
(US10065945, Example 8)
Show SMILES CC(C)c1nc(NS(=O)(=O)c2ccc3CCN(Cc3c2)[C@H](C)c2ccc(OCC(F)(F)F)nc2)no1
Show InChI InChI=1S/C23H26F3N5O4S/c1-14(2)21-28-22(29-35-21)30-36(32,33)19-6-4-16-8-9-31(12-18(16)10-19)15(3)17-5-7-20(27-11-17)34-13-23(24,25)26/h4-7,10-11,14-15H,8-9,12-13H2,1-3H3,(H,29,30)/t15-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
n/an/a 13n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methyl...


US Patent US10065945 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM272064
PNG
(US10065945, Example 58)
Show SMILES CC(C)CNC(=O)c1noc(NS(=O)(=O)c2ccc3CCN(Cc3c2)[C@H](C)c2cc(F)cc(F)c2)n1
Show InChI InChI=1S/C24H27F2N5O4S/c1-14(2)12-27-23(32)22-28-24(35-29-22)30-36(33,34)21-5-4-16-6-7-31(13-18(16)10-21)15(3)17-8-19(25)11-20(26)9-17/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,27,32)(H,28,29,30)/t15-/m1/s1
PDB

UniProtKB/SwissProt

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UniChem
n/an/a 15n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methyl...


US Patent US10065945 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM272060
PNG
(US10065945, Example 54)
Show SMILES C[C@@H](N1CCc2ccc(cc2C1)S(=O)(=O)Nc1nc(no1)C(=O)NCC(F)(F)F)c1cc(F)cc(F)c1
Show InChI InChI=1S/C22H20F5N5O4S/c1-12(14-6-16(23)9-17(24)7-14)32-5-4-13-2-3-18(8-15(13)10-32)37(34,35)31-21-29-19(30-36-21)20(33)28-11-22(25,26)27/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,28,33)(H,29,30,31)/t12-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
n/an/a 16n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methyl...


US Patent US10065945 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%