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Patent code US9296708

Compile Data Set for Download or QSAR
Found 17 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))
BDBM220398
PNG
(US9296708, 4, ARM-P4)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCOCCOCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H42N8O15/c38-26(39)7-6-24(28(42)43)32-29(44)31-23(27(40)41)3-1-2-9-35-18-20(33-34-35)19-52-16-15-51-14-13-50-12-11-49-10-8-30-22-5-4-21(36(45)46)17-25(22)37(47)48/h4-5,17-18,23-24,30H,1-3,6-16,19H2,(H,38,39)(H,40,41)(H,42,43)(H2,31,32,44)/t23-,24-/m0/s1
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UniChem
US Patent
0.0200n/a 0.460n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


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


(Homo sapiens (Human))
BDBM220397
PNG
(US9296708, 3, ARM-P2)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H34N8O13/c34-22(35)7-6-20(24(38)39)28-25(40)27-19(23(36)37)3-1-2-9-31-14-16(29-30-31)15-46-12-11-45-10-8-26-18-5-4-17(32(41)42)13-21(18)33(43)44/h4-5,13-14,19-20,26H,1-3,6-12,15H2,(H,34,35)(H,36,37)(H,38,39)(H2,27,28,40)/t19-,20-/m0/s1
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PC sid
UniChem
US Patent
0.0240n/a 0.540n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


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


(Homo sapiens (Human))
BDBM220396
PNG
(US9296708, 2, ARM-P1)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H30N8O12/c32-20(33)7-6-18(22(36)37)26-23(38)25-17(21(34)35)3-1-2-9-29-12-14(27-28-29)13-43-10-8-24-16-5-4-15(30(39)40)11-19(16)31(41)42/h4-5,11-12,17-18,24H,1-3,6-10,13H2,(H,32,33)(H,34,35)(H,36,37)(H2,25,26,38)/t17-,18-/m0/s1
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PC sid
UniChem
US Patent
0.0470n/a 1.05n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


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


(Homo sapiens (Human))
BDBM220408
PNG
(US9296708, 14)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCNc2ccc(cc2)[N+]([O-])=O)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H35N7O11/c33-22(34)9-8-21(24(37)38)28-25(39)27-20(23(35)36)3-1-2-11-31-15-18(29-30-31)16-43-14-13-42-12-10-26-17-4-6-19(7-5-17)32(40)41/h4-7,15,20-21,26H,1-3,8-14,16H2,(H,33,34)(H,35,36)(H,37,38)(H2,27,28,39)/t20-,21-/m0/s1
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UniChem
US Patent
0.0600n/a 1.36n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


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


(Homo sapiens (Human))
BDBM220395
PNG
(US9296708, 1, ARM-P0)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(CNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H26N8O11/c30-18(31)7-6-16(20(34)35)24-21(36)23-15(19(32)33)3-1-2-8-27-11-12(25-26-27)10-22-14-5-4-13(28(37)38)9-17(14)29(39)40/h4-5,9,11,15-16,22H,1-3,6-8,10H2,(H,30,31)(H,32,33)(H,34,35)(H2,23,24,36)/t15-,16-/m0/s1
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PC sid
UniChem
US Patent
0.0780n/a 1.76n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


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


(Homo sapiens (Human))
BDBM220407
PNG
(US9296708, 13)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCNc2ccccc2[N+]([O-])=O)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H35N7O11/c33-22(34)9-8-20(24(37)38)28-25(39)27-19(23(35)36)6-3-4-11-31-15-17(29-30-31)16-43-14-13-42-12-10-26-18-5-1-2-7-21(18)32(40)41/h1-2,5,7,15,19-20,26H,3-4,6,8-14,16H2,(H,33,34)(H,35,36)(H,37,38)(H2,27,28,39)/t19-,20-/m0/s1
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PC sid
UniChem
US Patent
0.0780n/a 1.78n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


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


(Homo sapiens (Human))
BDBM220399
PNG
(US9296708, 5, ARM-P6)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCOCCOCCOCCOCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C33H50N8O17/c42-30(43)7-6-28(32(46)47)36-33(48)35-27(31(44)45)3-1-2-9-39-22-24(37-38-39)23-58-20-19-57-18-17-56-16-15-55-14-13-54-12-11-53-10-8-34-26-5-4-25(40(49)50)21-29(26)41(51)52/h4-5,21-22,27-28,34H,1-3,6-20,23H2,(H,42,43)(H,44,45)(H,46,47)(H2,35,36,48)/t27-,28-/m0/s1
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UniChem
US Patent
0.101n/a 2.29n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


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


(Homo sapiens (Human))
BDBM220400
PNG
(US9296708, 6, ARM-P8)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCOCCOCCOCCOCCOCCOCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C37H58N8O19/c46-34(47)7-6-32(36(50)51)40-37(52)39-31(35(48)49)3-1-2-9-43-26-28(41-42-43)27-64-24-23-63-22-21-62-20-19-61-18-17-60-16-15-59-14-13-58-12-11-57-10-8-38-30-5-4-29(44(53)54)25-33(30)45(55)56/h4-5,25-26,31-32,38H,1-3,6-24,27H2,(H,46,47)(H,48,49)(H,50,51)(H2,39,40,52)/t31-,32-/m0/s1
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PC sid
UniChem
US Patent
0.145n/a 3.29n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


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


(Homo sapiens (Human))
BDBM220409
PNG
(US9296708, 15)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCNc2ccccc2)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H36N6O9/c32-22(33)10-9-21(24(36)37)28-25(38)27-20(23(34)35)8-4-5-12-31-16-19(29-30-31)17-40-15-14-39-13-11-26-18-6-2-1-3-7-18/h1-3,6-7,16,20-21,26H,4-5,8-15,17H2,(H,32,33)(H,34,35)(H,36,37)(H2,27,28,38)/t20-,21-/m0/s1
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PC sid
UniChem
US Patent
0.730n/a 16.6n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


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


(Homo sapiens (Human))
BDBM220410
PNG
(US9296708, 16)
Show SMILES COc1ccc(NCCOCCOCc2cn(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)nn2)cc1
Show InChI InChI=1S/C26H38N6O10/c1-40-20-7-5-18(6-8-20)27-11-13-41-14-15-42-17-19-16-32(31-30-19)12-3-2-4-21(24(35)36)28-26(39)29-22(25(37)38)9-10-23(33)34/h5-8,16,21-22,27H,2-4,9-15,17H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H2,28,29,39)/t21-,22-/m0/s1
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UniChem
US Patent
0.970n/a 21.9n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


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


(Homo sapiens (Human))
BDBM220404
PNG
(US9296708, 10, MeO-P4)
Show SMILES COCCOCCOCCOCCOCc1cn(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)nn1
Show InChI InChI=1S/C24H41N5O12/c1-37-8-9-38-10-11-39-12-13-40-14-15-41-17-18-16-29(28-27-18)7-3-2-4-19(22(32)33)25-24(36)26-20(23(34)35)5-6-21(30)31/h16,19-20H,2-15,17H2,1H3,(H,30,31)(H,32,33)(H,34,35)(H2,25,26,36)/t19-,20-/m0/s1
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PDB
UniChem
US Patent
1.34n/a 30.2n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


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


(Homo sapiens (Human))
BDBM220402
PNG
(US9296708, 8, MeO-P0)
Show SMILES COCc1cn(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)nn1
Show InChI InChI=1S/C16H25N5O8/c1-29-9-10-8-21(20-19-10)7-3-2-4-11(14(24)25)17-16(28)18-12(15(26)27)5-6-13(22)23/h8,11-12H,2-7,9H2,1H3,(H,22,23)(H,24,25)(H,26,27)(H2,17,18,28)/t11-,12-/m0/s1
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UniChem
US Patent
1.35n/a 30.5n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


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


(Homo sapiens (Human))
BDBM220401
PNG
(US9296708, 7, ARM-P12)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C45H74N8O23/c54-42(55)7-6-40(44(58)59)48-45(60)47-39(43(56)57)3-1-2-9-51-34-36(49-50-51)35-76-32-31-75-30-29-74-28-27-73-26-25-72-24-23-71-22-21-70-20-19-69-18-17-68-16-15-67-14-13-66-12-11-65-10-8-46-38-5-4-37(52(61)62)33-41(38)53(63)64/h4-5,33-34,39-40,46H,1-3,6-32,35H2,(H,54,55)(H,56,57)(H,58,59)(H2,47,48,60)/t39-,40-/m0/s1
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UniChem
US Patent
1.65n/a 37.3n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


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


(Homo sapiens (Human))
BDBM220403
PNG
(US9296708, 9, MeO-P2)
Show SMILES COCCOCCOCc1cn(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)nn1
Show InChI InChI=1S/C20H33N5O10/c1-33-8-9-34-10-11-35-13-14-12-25(24-23-14)7-3-2-4-15(18(28)29)21-20(32)22-16(19(30)31)5-6-17(26)27/h12,15-16H,2-11,13H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H2,21,22,32)/t15-,16-/m0/s1
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UniChem
US Patent
1.81n/a 40.8n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


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


(Homo sapiens (Human))
BDBM220405
PNG
(US9296708, 11, MeO-P8)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCc1cn(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)nn1
Show InChI InChI=1S/C32H57N5O16/c1-45-8-9-46-10-11-47-12-13-48-14-15-49-16-17-50-18-19-51-20-21-52-22-23-53-25-26-24-37(36-35-26)7-3-2-4-27(30(40)41)33-32(44)34-28(31(42)43)5-6-29(38)39/h24,27-28H,2-23,25H2,1H3,(H,38,39)(H,40,41)(H,42,43)(H2,33,34,44)/t27-,28-/m0/s1
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UniChem
US Patent
5.79n/a 131n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


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


(Homo sapiens (Human))
BDBM220406
PNG
(US9296708, 12, MeO-P12)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCc1cn(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)nn1
Show InChI InChI=1S/C40H73N5O20/c1-53-8-9-54-10-11-55-12-13-56-14-15-57-16-17-58-18-19-59-20-21-60-22-23-61-24-25-62-26-27-63-28-29-64-30-31-65-33-34-32-45(44-43-34)7-3-2-4-35(38(48)49)41-40(52)42-36(39(50)51)5-6-37(46)47/h32,35-36H,2-31,33H2,1H3,(H,46,47)(H,48,49)(H,50,51)(H2,41,42,52)/t35-,36-/m0/s1
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UniChem
US Patent
7.30n/a 165n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


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


(Homo sapiens (Human))
BDBM220411
PNG
(US9296708, 17)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCNC2CCCCC2)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H42N6O9/c32-22(33)10-9-21(24(36)37)28-25(38)27-20(23(34)35)8-4-5-12-31-16-19(29-30-31)17-40-15-14-39-13-11-26-18-6-2-1-3-7-18/h16,18,20-21,26H,1-15,17H2,(H,32,33)(H,34,35)(H,36,37)(H2,27,28,38)/t20-,21-/m0/s1
UniProtKB/SwissProt

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UniChem
US Patent
15.1n/a 342n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


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