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Patent code US8637507

Compile Data Set for Download or QSAR
Found 15 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
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM113713
PNG
(US8637507, C-70 isomer A | US8637507, C-71 isomer ...)
Show SMILES CCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(OC2CCC(CC2)C(O)=O)nc1 |(-9.34,.77,;-8,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-5.33,-3.08,;-4,-3.85,;-6.67,-3.85,;-8,-3.08,;-8,-1.54,;-9.34,-.77,;-10.67,-1.54,;-10.67,-3.08,;-9.34,-3.85,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;,1.54,;1.33,.77,;2.67,1.54,;2.67,3.08,;4,3.85,;5.33,3.08,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,.77,;10.67,1.54,;9.34,-.77,;1.33,3.85,;,3.08,)|
Show InChI InChI=1S/C29H31N3O5/c1-2-23-18-32(29(35)31-22-6-4-3-5-7-22)25-14-10-20(16-26(25)36-23)21-11-15-27(30-17-21)37-24-12-8-19(9-13-24)28(33)34/h3-7,10-11,14-17,19,23-24H,2,8-9,12-13,18H2,1H3,(H,31,35)(H,33,34)
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n/an/a 36n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro assay to identify DGAT1 inhibitors uses human DGAT1 enzyme expressed in Sf9 insect cells prepared as microsomes. The reaction was initia...

US Patent US8637507 (2014)


BindingDB Entry DOI: 10.7270/Q2697276
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM113713
PNG
(US8637507, C-70 isomer A | US8637507, C-71 isomer ...)
Show SMILES CCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(OC2CCC(CC2)C(O)=O)nc1 |(-9.34,.77,;-8,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-5.33,-3.08,;-4,-3.85,;-6.67,-3.85,;-8,-3.08,;-8,-1.54,;-9.34,-.77,;-10.67,-1.54,;-10.67,-3.08,;-9.34,-3.85,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;,1.54,;1.33,.77,;2.67,1.54,;2.67,3.08,;4,3.85,;5.33,3.08,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,.77,;10.67,1.54,;9.34,-.77,;1.33,3.85,;,3.08,)|
Show InChI InChI=1S/C29H31N3O5/c1-2-23-18-32(29(35)31-22-6-4-3-5-7-22)25-14-10-20(16-26(25)36-23)21-11-15-27(30-17-21)37-24-12-8-19(9-13-24)28(33)34/h3-7,10-11,14-17,19,23-24H,2,8-9,12-13,18H2,1H3,(H,31,35)(H,33,34)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro assay to identify DGAT1 inhibitors uses human DGAT1 enzyme expressed in Sf9 insect cells prepared as microsomes. The reaction was initia...

US Patent US8637507 (2014)


BindingDB Entry DOI: 10.7270/Q2697276
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM113711
PNG
(US8637507, C-65)
Show SMILES OC(=O)C1CCC(CC1)Oc1ccc(cn1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1 |(10.67,1.54,;9.34,.77,;9.34,-.77,;8,1.54,;6.67,.77,;5.33,1.54,;5.33,3.08,;6.67,3.85,;8,3.08,;4,3.85,;2.67,3.08,;2.67,1.54,;1.33,.77,;,1.54,;,3.08,;1.33,3.85,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-5.33,-1.54,;-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-5.33,-3.08,;-4,-3.85,;-6.67,-3.85,;-8,-3.08,;-8,-1.54,;-9.34,-.77,;-10.67,-1.54,;-10.67,-3.08,;-9.34,-3.85,)|
Show InChI InChI=1S/C27H27N3O5/c31-26(32)18-6-10-22(11-7-18)35-25-13-9-20(17-28-25)19-8-12-23-24(16-19)34-15-14-30(23)27(33)29-21-4-2-1-3-5-21/h1-5,8-9,12-13,16-18,22H,6-7,10-11,14-15H2,(H,29,33)(H,31,32)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro assay to identify DGAT1 inhibitors uses human DGAT1 enzyme expressed in Sf9 insect cells prepared as microsomes. The reaction was initia...

US Patent US8637507 (2014)


BindingDB Entry DOI: 10.7270/Q2697276
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM113715
PNG
(US8637507, C-87)
Show SMILES CCc1ccccc1NC(=O)N1CCOc2cc(ccc12)-c1ccc(OC2CCC(CC2)C(O)=O)nc1 |(-8,-5,;-9.34,-4.23,;-9.34,-2.69,;-10.67,-1.93,;-10.67,-.38,;-9.34,.38,;-8,-.38,;-8,-1.93,;-6.67,-2.69,;-5.33,-1.93,;-4,-2.69,;-5.33,-.38,;-6.67,.38,;-6.67,1.93,;-5.33,2.69,;-4,1.93,;-2.67,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;,2.69,;1.33,1.93,;2.67,2.69,;2.67,4.23,;4,5,;5.33,4.23,;5.33,2.69,;6.67,1.93,;8,2.69,;8,4.23,;6.67,5,;9.34,1.93,;10.67,2.69,;9.34,.38,;1.33,5,;,4.23,)|
Show InChI InChI=1S/C29H31N3O5/c1-2-19-5-3-4-6-24(19)31-29(35)32-15-16-36-26-17-21(9-13-25(26)32)22-10-14-27(30-18-22)37-23-11-7-20(8-12-23)28(33)34/h3-6,9-10,13-14,17-18,20,23H,2,7-8,11-12,15-16H2,1H3,(H,31,35)(H,33,34)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro assay to identify DGAT1 inhibitors uses human DGAT1 enzyme expressed in Sf9 insect cells prepared as microsomes. The reaction was initia...

US Patent US8637507 (2014)


BindingDB Entry DOI: 10.7270/Q2697276
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM113716
PNG
(US8637507, C-91)
Show SMILES OC(=O)C1CCC(CC1)Oc1ccc(cn1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccc(F)cc1C(F)(F)F |(11.34,3.08,;10,2.31,;10,.77,;8.67,3.08,;7.34,2.31,;6,3.08,;6,4.62,;7.34,5.39,;8.67,4.62,;4.67,5.39,;3.33,4.62,;3.33,3.08,;2,2.31,;.67,3.08,;.67,4.62,;2,5.39,;-.67,2.31,;-.67,.77,;-2,,;-3.33,.77,;-4.67,,;-6,.77,;-6,2.31,;-4.67,3.08,;-3.33,2.31,;-2,3.08,;-4.67,-1.54,;-3.33,-2.31,;-6,-2.31,;-7.34,-1.54,;-7.34,,;-8.67,.77,;-10,,;-11.34,.77,;-10,-1.54,;-8.67,-2.31,;-8.67,-3.85,;-8.67,-5.39,;-7.13,-3.85,;-10.21,-3.85,)|
Show InChI InChI=1S/C28H25F4N3O5/c29-19-5-8-22(21(14-19)28(30,31)32)34-27(38)35-11-12-39-24-13-17(3-9-23(24)35)18-4-10-25(33-15-18)40-20-6-1-16(2-7-20)26(36)37/h3-5,8-10,13-16,20H,1-2,6-7,11-12H2,(H,34,38)(H,36,37)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro assay to identify DGAT1 inhibitors uses human DGAT1 enzyme expressed in Sf9 insect cells prepared as microsomes. The reaction was initia...

US Patent US8637507 (2014)


BindingDB Entry DOI: 10.7270/Q2697276
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM113724
PNG
(US8637507, B-13)
Show SMILES CCCCCCNC(=O)N1CC(C)Oc2cc(ccc12)-c1ccc(OCC(C)(C)C(O)=O)nc1
Show InChI InChI=1S/C26H35N3O5/c1-5-6-7-8-13-27-25(32)29-16-18(2)34-22-14-19(9-11-21(22)29)20-10-12-23(28-15-20)33-17-26(3,4)24(30)31/h9-12,14-15,18H,5-8,13,16-17H2,1-4H3,(H,27,32)(H,30,31)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro assay to identify DGAT1 inhibitors uses human DGAT1 enzyme expressed in Sf9 insect cells prepared as microsomes. The reaction was initia...

US Patent US8637507 (2014)


BindingDB Entry DOI: 10.7270/Q2697276
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM113720
PNG
(US8637507, C-5)
Show SMILES CCC1CN(C(=O)Nc2ccc(Cl)cc2F)c2ccc(cc2O1)-c1ccc(OCC(C)(C)C(O)=O)nc1
Show InChI InChI=1S/C27H27ClFN3O5/c1-4-19-14-32(26(35)31-21-8-7-18(28)12-20(21)29)22-9-5-16(11-23(22)37-19)17-6-10-24(30-13-17)36-15-27(2,3)25(33)34/h5-13,19H,4,14-15H2,1-3H3,(H,31,35)(H,33,34)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro assay to identify DGAT1 inhibitors uses human DGAT1 enzyme expressed in Sf9 insect cells prepared as microsomes. The reaction was initia...

US Patent US8637507 (2014)


BindingDB Entry DOI: 10.7270/Q2697276
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM113721
PNG
(US8637507, C-8)
Show SMILES CC1CN(C(=O)Nc2ccc(F)c(Cl)c2)c2ccc(cc2O1)-c1ccc(OCC(C)(C)C(O)=O)nc1
Show InChI InChI=1S/C26H25ClFN3O5/c1-15-13-31(25(34)30-18-6-7-20(28)19(27)11-18)21-8-4-16(10-22(21)36-15)17-5-9-23(29-12-17)35-14-26(2,3)24(32)33/h4-12,15H,13-14H2,1-3H3,(H,30,34)(H,32,33)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro assay to identify DGAT1 inhibitors uses human DGAT1 enzyme expressed in Sf9 insect cells prepared as microsomes. The reaction was initia...

US Patent US8637507 (2014)


BindingDB Entry DOI: 10.7270/Q2697276
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM113719
PNG
(US8637507, C-3)
Show SMILES CCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(OCC(C)(C)C(O)=O)nc1
Show InChI InChI=1S/C27H29N3O5/c1-4-21-16-30(26(33)29-20-8-6-5-7-9-20)22-12-10-18(14-23(22)35-21)19-11-13-24(28-15-19)34-17-27(2,3)25(31)32/h5-15,21H,4,16-17H2,1-3H3,(H,29,33)(H,31,32)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro assay to identify DGAT1 inhibitors uses human DGAT1 enzyme expressed in Sf9 insect cells prepared as microsomes. The reaction was initia...

US Patent US8637507 (2014)


BindingDB Entry DOI: 10.7270/Q2697276
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM113725
PNG
(US8637507, C-56)
Show SMILES C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2F)c2ccc(cc2O1)-c1ccc(OCC(C)(C)C(O)=O)nc1 |r|
Show InChI InChI=1S/C26H25ClFN3O5/c1-15-13-31(25(34)30-20-7-6-18(27)11-19(20)28)21-8-4-16(10-22(21)36-15)17-5-9-23(29-12-17)35-14-26(2,3)24(32)33/h4-12,15H,13-14H2,1-3H3,(H,30,34)(H,32,33)/t15-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro assay to identify DGAT1 inhibitors uses human DGAT1 enzyme expressed in Sf9 insect cells prepared as microsomes. The reaction was initia...

US Patent US8637507 (2014)


BindingDB Entry DOI: 10.7270/Q2697276
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM113717
PNG
(US8637507, B-4)
Show SMILES CC(C)(COc1ccc(cn1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H25N3O5/c1-25(2,23(29)30)16-33-22-11-9-18(15-26-22)17-8-10-20-21(14-17)32-13-12-28(20)24(31)27-19-6-4-3-5-7-19/h3-11,14-15H,12-13,16H2,1-2H3,(H,27,31)(H,29,30)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro assay to identify DGAT1 inhibitors uses human DGAT1 enzyme expressed in Sf9 insect cells prepared as microsomes. The reaction was initia...

US Patent US8637507 (2014)


BindingDB Entry DOI: 10.7270/Q2697276
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM113712
PNG
(US8637507, C-68)
Show SMILES CC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(OC2CCC(CC2)C(O)=O)nc1 |(-8,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-5.33,-3.08,;-4,-3.85,;-6.67,-3.85,;-8,-3.08,;-8,-1.54,;-9.34,-.77,;-10.67,-1.54,;-10.67,-3.08,;-9.34,-3.85,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;,1.54,;1.33,.77,;2.67,1.54,;2.67,3.08,;4,3.85,;5.33,3.08,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,.77,;10.67,1.54,;9.34,-.77,;1.33,3.85,;,3.08,)|
Show InChI InChI=1S/C28H29N3O5/c1-18-17-31(28(34)30-22-5-3-2-4-6-22)24-13-9-20(15-25(24)35-18)21-10-14-26(29-16-21)36-23-11-7-19(8-12-23)27(32)33/h2-6,9-10,13-16,18-19,23H,7-8,11-12,17H2,1H3,(H,30,34)(H,32,33)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro assay to identify DGAT1 inhibitors uses human DGAT1 enzyme expressed in Sf9 insect cells prepared as microsomes. The reaction was initia...

US Patent US8637507 (2014)


BindingDB Entry DOI: 10.7270/Q2697276
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM113718
PNG
(US8637507, C-1)
Show SMILES CC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(OCC(C)(C)C(O)=O)nc1
Show InChI InChI=1S/C26H27N3O5/c1-17-15-29(25(32)28-20-7-5-4-6-8-20)21-11-9-18(13-22(21)34-17)19-10-12-23(27-14-19)33-16-26(2,3)24(30)31/h4-14,17H,15-16H2,1-3H3,(H,28,32)(H,30,31)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro assay to identify DGAT1 inhibitors uses human DGAT1 enzyme expressed in Sf9 insect cells prepared as microsomes. The reaction was initia...

US Patent US8637507 (2014)


BindingDB Entry DOI: 10.7270/Q2697276
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM113723
PNG
(US8637507, B-17)
Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(OCC(C)(C)C(O)=O)nc1
Show InChI InChI=1S/C27H25N3O4/c1-17-13-22(25(31)30-20-7-5-4-6-8-20)21-11-9-18(14-23(21)29-17)19-10-12-24(28-15-19)34-16-27(2,3)26(32)33/h4-15H,16H2,1-3H3,(H,30,31)(H,32,33)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro assay to identify DGAT1 inhibitors uses human DGAT1 enzyme expressed in Sf9 insect cells prepared as microsomes. The reaction was initia...

US Patent US8637507 (2014)


BindingDB Entry DOI: 10.7270/Q2697276
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM113722
PNG
(US8637507, C-60)
Show SMILES CCCc1ccccc1NC(=O)c1cc(C)nc2cc(ccc12)-c1ccc(OCC(C)(C)C(O)=O)nc1
Show InChI InChI=1S/C30H31N3O4/c1-5-8-20-9-6-7-10-25(20)33-28(34)24-15-19(2)32-26-16-21(11-13-23(24)26)22-12-14-27(31-17-22)37-18-30(3,4)29(35)36/h6-7,9-17H,5,8,18H2,1-4H3,(H,33,34)(H,35,36)
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US Patent


Assay Description
The in vitro assay to identify DGAT1 inhibitors uses human DGAT1 enzyme expressed in Sf9 insect cells prepared as microsomes. The reaction was initia...

US Patent US8637507 (2014)


BindingDB Entry DOI: 10.7270/Q2697276
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