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Patent code US9321728

Compile Data Set for Download or QSAR
Found 33 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 (DGAT1)


(Homo sapiens (Human))
BDBM223522
PNG
(US9321728, 79)
Show SMILES [O-]C(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C28H27ClF3N3O5/c29-21-4-2-1-3-20(21)27-35-24(25(40-27)28(30,31)32)26(39)33-14-13-22(36)34-19-11-9-18(10-12-19)17-7-5-16(6-8-17)15-23(37)38/h1-4,9-12,16-17H,5-8,13-15H2,(H,33,39)(H,34,36)(H,37,38)/p-1/t16-,17?
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY; HANDOK PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223528
PNG
(US9321728, 105)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2c(Cl)cc(F)cc2Cl)cc1
Show InChI InChI=1S/C28H25Cl2F4N3O5/c29-19-12-17(31)13-20(30)23(19)27-37-24(25(42-27)28(32,33)34)26(41)35-10-9-21(38)36-18-7-5-16(6-8-18)15-3-1-14(2-4-15)11-22(39)40/h5-8,12-15H,1-4,9-11H2,(H,35,41)(H,36,38)(H,39,40)/t14-,15?
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY; HANDOK PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223508
PNG
(US9321728, 41)
Show SMILES NC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C28H29F3N4O4/c29-28(30,31)25-24(35-27(39-25)20-4-2-1-3-5-20)26(38)33-15-14-23(37)34-21-12-10-19(11-13-21)18-8-6-17(7-9-18)16-22(32)36/h1-5,10-13,17-18H,6-9,14-16H2,(H2,32,36)(H,33,38)(H,34,37)/t17-,18?
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY; HANDOK PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223527
PNG
(US9321728, 95)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2Cl)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C27H27Cl2N3O5/c28-21-4-2-1-3-20(21)27-32-24(25(29)37-27)26(36)30-14-13-22(33)31-19-11-9-18(10-12-19)17-7-5-16(6-8-17)15-23(34)35/h1-4,9-12,16-17H,5-8,13-15H2,(H,30,36)(H,31,33)(H,34,35)/t16-,17?
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY; HANDOK PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223526
PNG
(US9321728, 94)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2ccc(c(Cl)c2)-c2ccccc2)cc1
Show InChI InChI=1S/C30H31ClN2O4/c31-27-19-24(12-15-26(27)23-4-2-1-3-5-23)30(37)32-17-16-28(34)33-25-13-10-22(11-14-25)21-8-6-20(7-9-21)18-29(35)36/h1-5,10-15,19-21H,6-9,16-18H2,(H,32,37)(H,33,34)(H,35,36)/t20-,21?
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY; HANDOK PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223516
PNG
(US9321728, 65)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2Br)cc1
Show InChI InChI=1S/C28H27BrF3N3O5/c29-21-4-2-1-3-20(21)27-35-24(25(40-27)28(30,31)32)26(39)33-14-13-22(36)34-19-11-9-18(10-12-19)17-7-5-16(6-8-17)15-23(37)38/h1-4,9-12,16-17H,5-8,13-15H2,(H,33,39)(H,34,36)(H,37,38)/t16-,17?
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY; HANDOK PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223518
PNG
(US9321728, 68)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C28H26Cl2F3N3O5/c29-19-2-1-3-20(30)23(19)27-36-24(25(41-27)28(31,32)33)26(40)34-13-12-21(37)35-18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-22(38)39/h1-3,8-11,15-16H,4-7,12-14H2,(H,34,40)(H,35,37)(H,38,39)/t15-,16?
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY; HANDOK PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223497
PNG
(US9321728, 6)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C28H28F3N3O5/c29-28(30,31)25-24(34-27(39-25)20-4-2-1-3-5-20)26(38)32-15-14-22(35)33-21-12-10-19(11-13-21)18-8-6-17(7-9-18)16-23(36)37/h1-5,10-13,17-18H,6-9,14-16H2,(H,32,38)(H,33,35)(H,36,37)/t17-,18?
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY; HANDOK PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223519
PNG
(US9321728, 69)
Show SMILES [O-]C(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C28H26Cl2F3N3O5/c29-19-2-1-3-20(30)23(19)27-36-24(25(41-27)28(31,32)33)26(40)34-13-12-21(37)35-18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-22(38)39/h1-3,8-11,15-16H,4-7,12-14H2,(H,34,40)(H,35,37)(H,38,39)/p-1/t15-,16?
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY; HANDOK PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223499
PNG
(US9321728, 11)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C28H27ClF3N3O5/c29-21-4-2-1-3-20(21)27-35-24(25(40-27)28(30,31)32)26(39)33-14-13-22(36)34-19-11-9-18(10-12-19)17-7-5-16(6-8-17)15-23(37)38/h1-4,9-12,16-17H,5-8,13-15H2,(H,33,39)(H,34,36)(H,37,38)/t16-,17?
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY; HANDOK PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223525
PNG
(US9321728, 93)
Show SMILES CCc1ccc(cc1)-c1ccc(cc1)C(=O)NCCC(=O)Nc1ccc(cc1)C1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C32H36N2O4/c1-2-22-3-7-24(8-4-22)26-11-13-28(14-12-26)32(38)33-20-19-30(35)34-29-17-15-27(16-18-29)25-9-5-23(6-10-25)21-31(36)37/h3-4,7-8,11-18,23,25H,2,5-6,9-10,19-21H2,1H3,(H,33,38)(H,34,35)(H,36,37)/t23-,25?
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US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223514
PNG
(US9321728, 60)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2F)cc1
Show InChI InChI=1S/C28H27F4N3O5/c29-21-4-2-1-3-20(21)27-35-24(25(40-27)28(30,31)32)26(39)33-14-13-22(36)34-19-11-9-18(10-12-19)17-7-5-16(6-8-17)15-23(37)38/h1-4,9-12,16-17H,5-8,13-15H2,(H,33,39)(H,34,36)(H,37,38)/t16-,17?
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY; HANDOK PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223515
PNG
(US9321728, 64)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C28H26Cl2F3N3O5/c29-18-7-10-20(21(30)14-18)27-36-24(25(41-27)28(31,32)33)26(40)34-12-11-22(37)35-19-8-5-17(6-9-19)16-3-1-15(2-4-16)13-23(38)39/h5-10,14-16H,1-4,11-13H2,(H,34,40)(H,35,37)(H,38,39)/t15-,16?
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY; HANDOK PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223496
PNG
(US9321728, 4)
Show SMILES CCOc1ccc(cc1)C(=O)NCCC(=O)Nc1ccc(cc1)C1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C26H32N2O5/c1-2-33-23-13-9-21(10-14-23)26(32)27-16-15-24(29)28-22-11-7-20(8-12-22)19-5-3-18(4-6-19)17-25(30)31/h7-14,18-19H,2-6,15-17H2,1H3,(H,27,32)(H,28,29)(H,30,31)/t18-,19?
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US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223517
PNG
(US9321728, 66)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C29H27F6N3O5/c30-28(31,32)21-4-2-1-3-20(21)27-38-24(25(43-27)29(33,34)35)26(42)36-14-13-22(39)37-19-11-9-18(10-12-19)17-7-5-16(6-8-17)15-23(40)41/h1-4,9-12,16-17H,5-8,13-15H2,(H,36,42)(H,37,39)(H,40,41)/t16-,17?
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US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223502
PNG
(US9321728, 21)
Show SMILES Cc1ccccc1-c1nc(C(=O)NCCC(=O)Nc2ccc(cc2)C2CC[C@H](CC(O)=O)CC2)c(o1)C(F)(F)F
Show InChI InChI=1S/C29H30F3N3O5/c1-17-4-2-3-5-22(17)28-35-25(26(40-28)29(30,31)32)27(39)33-15-14-23(36)34-21-12-10-20(11-13-21)19-8-6-18(7-9-19)16-24(37)38/h2-5,10-13,18-19H,6-9,14-16H2,1H3,(H,33,39)(H,34,36)(H,37,38)/t18-,19?
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US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223523
PNG
(US9321728, 86)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2ccc(cc2)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C30H31ClN2O4/c31-27-4-2-1-3-26(27)23-9-11-24(12-10-23)30(37)32-18-17-28(34)33-25-15-13-22(14-16-25)21-7-5-20(6-8-21)19-29(35)36/h1-4,9-16,20-21H,5-8,17-19H2,(H,32,37)(H,33,34)(H,35,36)/t20-,21?
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY; HANDOK PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223509
PNG
(US9321728, 47)
Show SMILES Cc1ccc(cc1)-n1cc(C(=O)NCCC(=O)Nc2ccc(cc2)C2CC[C@H](CC(O)=O)CC2)c(n1)C(F)(F)F
Show InChI InChI=1S/C29H31F3N4O4/c1-18-2-12-23(13-3-18)36-17-24(27(35-36)29(30,31)32)28(40)33-15-14-25(37)34-22-10-8-21(9-11-22)20-6-4-19(5-7-20)16-26(38)39/h2-3,8-13,17,19-20H,4-7,14-16H2,1H3,(H,33,40)(H,34,37)(H,38,39)/t19-,20?
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US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223511
PNG
(US9321728, 51)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2cn(nc2C(F)(F)F)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C28H28ClF3N4O4/c29-22-3-1-2-4-23(22)36-16-21(26(35-36)28(30,31)32)27(40)33-14-13-24(37)34-20-11-9-19(10-12-20)18-7-5-17(6-8-18)15-25(38)39/h1-4,9-12,16-18H,5-8,13-15H2,(H,33,40)(H,34,37)(H,38,39)/t17-,18?
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Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


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More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223504
PNG
(US9321728, 27)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C28H27BrF3N3O5/c29-20-9-5-19(6-10-20)27-35-24(25(40-27)28(30,31)32)26(39)33-14-13-22(36)34-21-11-7-18(8-12-21)17-3-1-16(2-4-17)15-23(37)38/h5-12,16-17H,1-4,13-15H2,(H,33,39)(H,34,36)(H,37,38)/t16-,17?
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US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


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More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223500
PNG
(US9321728, 15)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2oc(nc2C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C28H28F3N3O5/c29-28(30,31)25-24(39-27(34-25)20-4-2-1-3-5-20)26(38)32-15-14-22(35)33-21-12-10-19(11-13-21)18-8-6-17(7-9-18)16-23(36)37/h1-5,10-13,17-18H,6-9,14-16H2,(H,32,38)(H,33,35)(H,36,37)/t17-,18?
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US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


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More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223524
PNG
(US9321728, 87)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2Cl)-c2ccccc2)cc1
Show InChI InChI=1S/C27H28ClN3O5/c28-25-24(31-27(36-25)20-4-2-1-3-5-20)26(35)29-15-14-22(32)30-21-12-10-19(11-13-21)18-8-6-17(7-9-18)16-23(33)34/h1-5,10-13,17-18H,6-9,14-16H2,(H,29,35)(H,30,32)(H,33,34)/t17-,18?
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US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223521
PNG
(US9321728, 75)
Show SMILES Cc1cccc(C)c1-c1ccc(cc1)C(=O)NCCC(=O)Nc1ccc(cc1)C1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C32H36N2O4/c1-21-4-3-5-22(2)31(21)26-10-12-27(13-11-26)32(38)33-19-18-29(35)34-28-16-14-25(15-17-28)24-8-6-23(7-9-24)20-30(36)37/h3-5,10-17,23-24H,6-9,18-20H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)/t23-,24?
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Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223520
PNG
(US9321728, 73)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2c(F)cccc2Cl)cc1
Show InChI InChI=1S/C28H26ClF4N3O5/c29-19-2-1-3-20(30)23(19)27-36-24(25(41-27)28(31,32)33)26(40)34-13-12-21(37)35-18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-22(38)39/h1-3,8-11,15-16H,4-7,12-14H2,(H,34,40)(H,35,37)(H,38,39)/t15-,16?
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Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223507
PNG
(US9321728, 37)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2sc(nc2C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C28H28F3N3O4S/c29-28(30,31)25-24(39-27(34-25)20-4-2-1-3-5-20)26(38)32-15-14-22(35)33-21-12-10-19(11-13-21)18-8-6-17(7-9-18)16-23(36)37/h1-5,10-13,17-18H,6-9,14-16H2,(H,32,38)(H,33,35)(H,36,37)/t17-,18?
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US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223498
PNG
(US9321728, 7)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2cn(nc2C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C28H29F3N4O4/c29-28(30,31)26-23(17-35(34-26)22-4-2-1-3-5-22)27(39)32-15-14-24(36)33-21-12-10-20(11-13-21)19-8-6-18(7-9-19)16-25(37)38/h1-5,10-13,17-19H,6-9,14-16H2,(H,32,39)(H,33,36)(H,37,38)/t18-,19?
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US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223501
PNG
(US9321728, 19)
Show SMILES Cc1ccc(cc1)-c1nc(C(=O)NCCC(=O)Nc2ccc(cc2)C2CC[C@H](CC(O)=O)CC2)c(o1)C(F)(F)F
Show InChI InChI=1S/C29H30F3N3O5/c1-17-2-6-21(7-3-17)28-35-25(26(40-28)29(30,31)32)27(39)33-15-14-23(36)34-22-12-10-20(11-13-22)19-8-4-18(5-9-19)16-24(37)38/h2-3,6-7,10-13,18-19H,4-5,8-9,14-16H2,1H3,(H,33,39)(H,34,36)(H,37,38)/t18-,19?
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Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223505
PNG
(US9321728, 31)
Show SMILES Cc1oc(nc1C(=O)NCCC(=O)Nc1ccc(cc1)C1CC[C@H](CC(O)=O)CC1)-c1ccccc1
Show InChI InChI=1S/C28H31N3O5/c1-18-26(31-28(36-18)22-5-3-2-4-6-22)27(35)29-16-15-24(32)30-23-13-11-21(12-14-23)20-9-7-19(8-10-20)17-25(33)34/h2-6,11-14,19-20H,7-10,15-17H2,1H3,(H,29,35)(H,30,32)(H,33,34)/t19-,20?
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US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223510
PNG
(US9321728, 49)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2cn(nc2C(F)(F)F)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C28H28ClF3N4O4/c29-20-7-11-22(12-8-20)36-16-23(26(35-36)28(30,31)32)27(40)33-14-13-24(37)34-21-9-5-19(6-10-21)18-3-1-17(2-4-18)15-25(38)39/h5-12,16-18H,1-4,13-15H2,(H,33,40)(H,34,37)(H,38,39)/t17-,18?
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US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223513
PNG
(US9321728, 58)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2ccc(OCC3CC3)cc2)cc1
Show InChI InChI=1S/C28H34N2O5/c31-26(15-16-29-28(34)23-9-13-25(14-10-23)35-18-20-1-2-20)30-24-11-7-22(8-12-24)21-5-3-19(4-6-21)17-27(32)33/h7-14,19-21H,1-6,15-18H2,(H,29,34)(H,30,31)(H,32,33)/t19-,21?
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US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223512
PNG
(US9321728, 56)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H27F4N3O5/c29-20-9-5-19(6-10-20)27-35-24(25(40-27)28(30,31)32)26(39)33-14-13-22(36)34-21-11-7-18(8-12-21)17-3-1-16(2-4-17)15-23(37)38/h5-12,16-17H,1-4,13-15H2,(H,33,39)(H,34,36)(H,37,38)/t16-,17?
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US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223506
PNG
(US9321728, 33)
Show SMILES Cc1nc(sc1C(=O)NCCC(=O)Nc1ccc(cc1)C1CC[C@H](CC(O)=O)CC1)-c1ccccc1
Show InChI InChI=1S/C28H31N3O4S/c1-18-26(36-28(30-18)22-5-3-2-4-6-22)27(35)29-16-15-24(32)31-23-13-11-21(12-14-23)20-9-7-19(8-10-20)17-25(33)34/h2-6,11-14,19-20H,7-10,15-17H2,1H3,(H,29,35)(H,31,32)(H,33,34)/t19-,20?
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US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM223503
PNG
(US9321728, 22)
Show SMILES FC(F)(F)c1oc(nc1C(=O)NCCC(=O)Nc1ccc(cc1)C1CC[C@H](CC(=O)O[Na])CC1)-c1ccccc1
Show InChI InChI=1S/C28H28F3N3O5.Na/c29-28(30,31)25-24(34-27(39-25)20-4-2-1-3-5-20)26(38)32-15-14-22(35)33-21-12-10-19(11-13-21)18-8-6-17(7-9-18)16-23(36)37;/h1-5,10-13,17-18H,6-9,14-16H2,(H,32,38)(H,33,35)(H,36,37);/q;+1/p-1/t17-,18?;
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US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


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