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Compile Data Set for Download or QSAR

Found 241 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' AND taxid = 10090   
Target
(Institution)
LigandTarget
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


(Mus musculus (mouse))
BDBM50437388
PNG
(CHEMBL3037924)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(cn1)-c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C26H24ClN3O2/c27-21-10-12-23-24(14-21)30-26(29-23)20-9-11-22(28-15-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-25(31)32/h5-12,14-17H,1-4,13H2,(H,29,30)(H,31,32)/t16-,17-
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TBA

Assay Description
Inhibition of mouse DGAT1


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


(Mus musculus (mouse))
BDBM209526
PNG
(US9271969, 14)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1/C30H29N3O5/c34-29(35)14-19-1-4-21(5-2-19)22-6-8-23(9-7-22)24-10-12-28-32-25(17-33(28)16-24)30(36)31-15-20-3-11-26-27(13-20)38-18-37-26/h3,6-13,16-17,19,21H,1-2,4-5,14-15,18H2,(H,31,36)(H,34,35)/t19-,21?
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n/an/a<1n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)

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


(Mus musculus (mouse))
BDBM209530
PNG
(US9271969, 18)
Show SMILES COc1ccc(OC(F)(F)F)cc1CNC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1/C31H30F3N3O5/c1-41-27-12-11-25(42-31(32,33)34)15-24(27)16-35-30(40)26-18-37-17-23(10-13-28(37)36-26)22-8-6-21(7-9-22)20-4-2-19(3-5-20)14-29(38)39/h6-13,15,17-20H,2-5,14,16H2,1H3,(H,35,40)(H,38,39)/t19-,20?
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KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)

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


(Mus musculus (mouse))
BDBM209531
PNG
(US9271969, 19)
Show SMILES CC(C)c1ccc(CNC(=O)c2cn3cc(ccc3n2)-c2ccc(cc2)C2CC[C@H](CC(O)=O)CC2)cc1
Show InChI InChI=1/C32H35N3O3/c1-21(2)24-7-5-23(6-8-24)18-33-32(38)29-20-35-19-28(15-16-30(35)34-29)27-13-11-26(12-14-27)25-9-3-22(4-10-25)17-31(36)37/h5-8,11-16,19-22,25H,3-4,9-10,17-18H2,1-2H3,(H,33,38)(H,36,37)/t22-,25?
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KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)

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


(Mus musculus (mouse))
BDBM209544
PNG
(US9271969, 32)
Show SMILES Cc1ccccc1NC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1/C29H29N3O3/c1-19-4-2-3-5-25(19)31-29(35)26-18-32-17-24(14-15-27(32)30-26)23-12-10-22(11-13-23)21-8-6-20(7-9-21)16-28(33)34/h2-5,10-15,17-18,20-21H,6-9,16H2,1H3,(H,31,35)(H,33,34)/t20-,21?
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KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)

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


(Mus musculus (mouse))
BDBM209550
PNG
(US9271969, 38)
Show SMILES Cc1cccc(C)c1NC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1/C30H31N3O3/c1-19-4-3-5-20(2)29(19)32-30(36)26-18-33-17-25(14-15-27(33)31-26)24-12-10-23(11-13-24)22-8-6-21(7-9-22)16-28(34)35/h3-5,10-15,17-18,21-22H,6-9,16H2,1-2H3,(H,32,36)(H,34,35)/t21-,22?
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KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)

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


(Mus musculus (mouse))
BDBM209551
PNG
(US9271969, 39)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1cc(F)ccc1F
Show InChI InChI=1/C28H25F2N3O3/c29-22-10-11-23(30)24(14-22)32-28(36)25-16-33-15-21(9-12-26(33)31-25)20-7-5-19(6-8-20)18-3-1-17(2-4-18)13-27(34)35/h5-12,14-18H,1-4,13H2,(H,32,36)(H,34,35)/t17-,18?
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KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)

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


(Mus musculus (mouse))
BDBM50385398
PNG
(CHEMBL2036730)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1
Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14-
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


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


(Mus musculus (mouse))
BDBM209532
PNG
(US9271969, 20)
Show SMILES CC(C)(NC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1)c1ccc(F)cc1
Show InChI InChI=1/C31H32FN3O3/c1-31(2,25-12-14-26(32)15-13-25)34-30(38)27-19-35-18-24(11-16-28(35)33-27)23-9-7-22(8-10-23)21-5-3-20(4-6-21)17-29(36)37/h7-16,18-21H,3-6,17H2,1-2H3,(H,34,38)(H,36,37)/t20-,21?
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KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)

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


(Mus musculus (mouse))
BDBM50009445
PNG
(CHEMBL3233889)
Show SMILES Cc1cc(C(=O)NCCCCCc2ccccc2)c2ccc(cc2n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C36H40N2O3/c1-25-22-33(36(41)37-21-7-3-6-10-26-8-4-2-5-9-26)32-20-19-31(24-34(32)38-25)30-17-15-29(16-18-30)28-13-11-27(12-14-28)23-35(39)40/h2,4-5,8-9,15-20,22,24,27-28H,3,6-7,10-14,21,23H2,1H3,(H,37,41)(H,39,40)/t27-,28-
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


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


(Mus musculus (mouse))
BDBM50117151
PNG
(CHEMBL3613351)
Show SMILES Cc1ccccc1-c1ccc(cc1)C(=O)NCCNC(=O)c1ccc(O[C@H]2C3CC4CC2C[C@](C4)(C3)C(O)=O)cc1
Show InChI InChI=1/C34H36N2O5/c1-21-4-2-3-5-29(21)23-6-8-24(9-7-23)31(37)35-14-15-36-32(38)25-10-12-28(13-11-25)41-30-26-16-22-17-27(30)20-34(18-22,19-26)33(39)40/h2-13,22,26-27,30H,14-20H2,1H3,(H,35,37)(H,36,38)(H,39,40)/t22?,26?,27?,30-,34-
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Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1 incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid scintillation counting and lumino...


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


(Mus musculus (mouse))
BDBM50437393
PNG
(CHEMBL2408630)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C25H21F3N4O3/c26-25(27,28)17-5-9-20-21(11-17)32-23(31-20)16-3-8-19(29-13-16)15-4-10-22(30-12-15)35-18-6-1-14(2-7-18)24(33)34/h3-5,8-14,18H,1-2,6-7H2,(H,31,32)(H,33,34)/t14-,18+
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TBA

Assay Description
Inhibition of mouse DGAT1


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


(Mus musculus (mouse))
BDBM50437389
PNG
(CHEMBL3037925)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C27H24F3N3O2/c28-27(29,30)21-10-12-23-24(14-21)33-26(32-23)20-9-11-22(31-15-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-25(34)35/h5-12,14-17H,1-4,13H2,(H,32,33)(H,34,35)/t16-,17-
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TBA

Assay Description
Inhibition of mouse DGAT1


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


(Mus musculus (mouse))
BDBM50437387
PNG
(CHEMBL2408472)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(F)c(F)cc2[nH]1
Show InChI InChI=1S/C24H20F2N4O3/c25-17-9-20-21(10-18(17)26)30-23(29-20)15-3-7-19(27-12-15)14-4-8-22(28-11-14)33-16-5-1-13(2-6-16)24(31)32/h3-4,7-13,16H,1-2,5-6H2,(H,29,30)(H,31,32)/t13-,16+
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TBA

Assay Description
Inhibition of mouse DGAT1


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


(Mus musculus (mouse))
BDBM50437374
PNG
(CHEMBL2408470)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C24H21FN4O3/c25-17-5-9-20-21(11-17)29-23(28-20)16-3-8-19(26-13-16)15-4-10-22(27-12-15)32-18-6-1-14(2-7-18)24(30)31/h3-5,8-14,18H,1-2,6-7H2,(H,28,29)(H,30,31)/t14-,18+
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TBA

Assay Description
Inhibition of mouse DGAT1


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


(Mus musculus (mouse))
BDBM50437391
PNG
(CHEMBL2408632)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C24H21ClN4O3/c25-17-5-9-20-21(11-17)29-23(28-20)16-3-8-19(26-13-16)15-4-10-22(27-12-15)32-18-6-1-14(2-7-18)24(30)31/h3-5,8-14,18H,1-2,6-7H2,(H,28,29)(H,30,31)/t14-,18+
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TBA

Assay Description
Inhibition of mouse DGAT1


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


(Mus musculus (mouse))
BDBM50437390
PNG
(CHEMBL2408633)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C24H21ClN4O3/c25-17-5-9-20-21(11-17)29-23(28-20)16-3-8-19(26-13-16)15-4-10-22(27-12-15)32-18-6-1-14(2-7-18)24(30)31/h3-5,8-14,18H,1-2,6-7H2,(H,28,29)(H,30,31)/t14-,18-
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TBA

Assay Description
Inhibition of mouse DGAT1


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


(Mus musculus (mouse))
BDBM50437386
PNG
(CHEMBL2408620)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(F)c(F)cc2[nH]1
Show InChI InChI=1S/C24H20F2N4O3/c25-17-9-20-21(10-18(17)26)30-23(29-20)15-3-7-19(27-12-15)14-4-8-22(28-11-14)33-16-5-1-13(2-6-16)24(31)32/h3-4,7-13,16H,1-2,5-6H2,(H,29,30)(H,31,32)/t13-,16-
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TBA

Assay Description
Inhibition of mouse DGAT1


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


(Mus musculus (mouse))
BDBM50437392
PNG
(CHEMBL2408631)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C25H21F3N4O3/c26-25(27,28)17-5-9-20-21(11-17)32-23(31-20)16-3-8-19(29-13-16)15-4-10-22(30-12-15)35-18-6-1-14(2-7-18)24(33)34/h3-5,8-14,18H,1-2,6-7H2,(H,31,32)(H,33,34)/t14-,18-
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TBA

Assay Description
Inhibition of mouse DGAT1


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


(Mus musculus (mouse))
BDBM50437383
PNG
(CHEMBL2408623)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(OC(F)(F)F)cc2[nH]1
Show InChI InChI=1S/C25H21F3N4O4/c26-25(27,28)36-18-7-9-20-21(11-18)32-23(31-20)16-3-8-19(29-13-16)15-4-10-22(30-12-15)35-17-5-1-14(2-6-17)24(33)34/h3-4,7-14,17H,1-2,5-6H2,(H,31,32)(H,33,34)/t14-,17+
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TBA

Assay Description
Inhibition of mouse DGAT1


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


(Mus musculus (mouse))
BDBM50117150
PNG
(CHEMBL3613355)
Show SMILES Cc1cccc(C)c1-c1ccc(cc1)C(=O)NCCNC(=O)c1ccc(O[C@H]2C3CC4CC2C[C@](C4)(C3)C(O)=O)cc1
Show InChI InChI=1/C35H38N2O5/c1-21-4-3-5-22(2)30(21)24-6-8-25(9-7-24)32(38)36-14-15-37-33(39)26-10-12-29(13-11-26)42-31-27-16-23-17-28(31)20-35(18-23,19-27)34(40)41/h3-13,23,27-28,31H,14-20H2,1-2H3,(H,36,38)(H,37,39)(H,40,41)/t23?,27?,28?,31-,35-
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n/an/a 5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1 incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid scintillation counting and lumino...


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


(Mus musculus (mouse))
BDBM50117149
PNG
(CHEMBL3613349)
Show SMILES OC(=O)[C@@]12CC3CC(C1)[C@H](Oc1ccc(cc1)C(=O)NCCNC(=O)c1ccc(cc1)-c1ccccc1)C(C3)C2
Show InChI InChI=1/C33H34N2O5/c36-30(24-8-6-23(7-9-24)22-4-2-1-3-5-22)34-14-15-35-31(37)25-10-12-28(13-11-25)40-29-26-16-21-17-27(29)20-33(18-21,19-26)32(38)39/h1-13,21,26-27,29H,14-20H2,(H,34,36)(H,35,37)(H,38,39)/t21?,26?,27?,29-,33-
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n/an/a 5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1 incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid scintillation counting and lumino...


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


(Mus musculus (mouse))
BDBM50117187
PNG
(CHEMBL3613341)
Show SMILES OC(=O)C12CC3CC(C1)C(Oc1ccc(cc1)C(=O)NCCNC(=O)c1nc(oc1C(F)(F)F)-c1ccccc1)C(C3)C2
Show InChI InChI=1/C31H30F3N3O6/c32-31(33,34)25-23(37-28(43-25)19-4-2-1-3-5-19)27(39)36-11-10-35-26(38)18-6-8-22(9-7-18)42-24-20-12-17-13-21(24)16-30(14-17,15-20)29(40)41/h1-9,17,20-21,24H,10-16H2,(H,35,38)(H,36,39)(H,40,41)
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n/an/a 5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1 incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid scintillation counting and lumino...


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


(Mus musculus (mouse))
BDBM209537
PNG
(US9271969, 25)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1/C35H32FN3O4/c36-29-12-16-31(17-13-29)43-30-14-3-24(4-15-30)20-37-35(42)32-22-39-21-28(11-18-33(39)38-32)27-9-7-26(8-10-27)25-5-1-23(2-6-25)19-34(40)41/h3-4,7-18,21-23,25H,1-2,5-6,19-20H2,(H,37,42)(H,40,41)/t23-,25?
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n/an/a 5.30n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)

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


(Mus musculus (mouse))
BDBM209534
PNG
(US9271969, 22)
Show SMILES Cc1cccc(Cl)c1CNC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1/C30H30ClN3O3/c1-19-3-2-4-26(31)25(19)16-32-30(37)27-18-34-17-24(13-14-28(34)33-27)23-11-9-22(10-12-23)21-7-5-20(6-8-21)15-29(35)36/h2-4,9-14,17-18,20-21H,5-8,15-16H2,1H3,(H,32,37)(H,35,36)/t20-,21?
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n/an/a 7.60n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)

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


(Mus musculus (mouse))
BDBM50394726
PNG
(CHEMBL2165819)
Show SMILES Nc1c(cnc2ccnn12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C20H22N4O2/c21-20-17(12-22-18-9-10-23-24(18)20)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-19(25)26/h5-10,12-14H,1-4,11,21H2,(H,25,26)/t13-,14-
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n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1 using [1-14C]decanoyl-CoA substrate by phospholipid flash plate assay


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


(Mus musculus (mouse))
BDBM50009439
PNG
(CHEMBL3233885)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2c(cccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C31H29NO3/c33-30(34)19-21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-17-18-28-26(20-25)5-4-8-29(28)31(35)32-27-6-2-1-3-7-27/h1-8,13-18,20-22H,9-12,19H2,(H,32,35)(H,33,34)/t21-,22-
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


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


(Mus musculus (mouse))
BDBM50031502
PNG
(CHEMBL3342774)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F
Show InChI InChI=1/C25H27F3N4O3/c26-25(27,28)17-4-7-20-21(13-17)31-23(30-20)16-3-8-22(29-14-16)32-11-9-19(10-12-32)35-18-5-1-15(2-6-18)24(33)34/h3-4,7-8,13-15,18-19H,1-2,5-6,9-12H2,(H,30,31)(H,33,34)/t15-,18+
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


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


(Mus musculus (mouse))
BDBM50117184
PNG
(CHEMBL3613347)
Show SMILES OC(=O)[C@@]12CC3CC(C1)[C@H](Oc1ccc(cc1)C(=O)NCCNC(=O)c1ccc4ccccc4c1)C(C3)C2
Show InChI InChI=1/C31H32N2O5/c34-28(32-11-12-33-29(35)23-6-5-20-3-1-2-4-22(20)15-23)21-7-9-26(10-8-21)38-27-24-13-19-14-25(27)18-31(16-19,17-24)30(36)37/h1-10,15,19,24-25,27H,11-14,16-18H2,(H,32,34)(H,33,35)(H,36,37)/t19?,24?,25?,27-,31-
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n/an/a 8n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1 incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid scintillation counting and lumino...


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


(Mus musculus (mouse))
BDBM50117189
PNG
(CHEMBL3613340)
Show SMILES OC(=O)C12CC3CC(C1)C(Oc1ccc(cc1)C(=O)NCCNC(=O)c1ccc(cc1)-c1ccccc1)C(C3)C2
Show InChI InChI=1/C33H34N2O5/c36-30(24-8-6-23(7-9-24)22-4-2-1-3-5-22)34-14-15-35-31(37)25-10-12-28(13-11-25)40-29-26-16-21-17-27(29)20-33(18-21,19-26)32(38)39/h1-13,21,26-27,29H,14-20H2,(H,34,36)(H,35,37)(H,38,39)
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n/an/a 8n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1 incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid scintillation counting and lumino...


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


(Mus musculus (mouse))
BDBM50437376
PNG
(CHEMBL2408634)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H22N4O3/c29-24(30)15-5-9-18(10-6-15)31-22-12-8-16(13-26-22)19-11-7-17(14-25-19)23-27-20-3-1-2-4-21(20)28-23/h1-4,7-8,11-15,18H,5-6,9-10H2,(H,27,28)(H,29,30)/t15-,18+
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n/an/a 8.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse DGAT1


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


(Mus musculus (mouse))
BDBM50437373
PNG
(CHEMBL2408471)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C24H21FN4O3/c25-17-5-9-20-21(11-17)29-23(28-20)16-3-8-19(26-13-16)15-4-10-22(27-12-15)32-18-6-1-14(2-7-18)24(30)31/h3-5,8-14,18H,1-2,6-7H2,(H,28,29)(H,30,31)/t14-,18-
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n/an/a 8.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse DGAT1


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


(Mus musculus (mouse))
BDBM209538
PNG
(US9271969, 26)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc2OCCCOc2c1
Show InChI InChI=1/C32H33N3O5/c36-31(37)17-21-2-5-23(6-3-21)24-7-9-25(10-8-24)26-11-13-30-34-27(20-35(30)19-26)32(38)33-18-22-4-12-28-29(16-22)40-15-1-14-39-28/h4,7-13,16,19-21,23H,1-3,5-6,14-15,17-18H2,(H,33,38)(H,36,37)/t21-,23?
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n/an/a 9.90n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)

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


(Mus musculus (mouse))
BDBM209527
PNG
(US9271969, 15)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C28H25Cl2N3O3/c29-23-11-10-22(14-24(23)30)31-28(36)25-16-33-15-21(9-12-26(33)32-25)20-7-5-19(6-8-20)18-3-1-17(2-4-18)13-27(34)35/h5-12,14-18H,1-4,13H2,(H,31,36)(H,34,35)/t17-,18?
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n/an/a 9.90n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)

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


(Mus musculus (mouse))
BDBM50009444
PNG
(CHEMBL3233888)
Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C31H30N2O3/c1-20-17-28(31(36)33-26-5-3-2-4-6-26)27-16-15-25(19-29(27)32-20)24-13-11-23(12-14-24)22-9-7-21(8-10-22)18-30(34)35/h2-6,11-17,19,21-22H,7-10,18H2,1H3,(H,33,36)(H,34,35)/t21-,22-
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


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


(Mus musculus (mouse))
BDBM50117152
PNG
(CHEMBL3613350)
Show SMILES OC(=O)[C@]12CC3CC(C1)[C@H](Oc1ccc(cc1)C(=O)NCCNC(=O)c1ccc(cc1)-c1ccccc1)C(C3)C2
Show InChI InChI=1/C33H34N2O5/c36-30(24-8-6-23(7-9-24)22-4-2-1-3-5-22)34-14-15-35-31(37)25-10-12-28(13-11-25)40-29-26-16-21-17-27(29)20-33(18-21,19-26)32(38)39/h1-13,21,26-27,29H,14-20H2,(H,34,36)(H,35,37)(H,38,39)/t21?,26?,27?,29-,33+
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n/an/a 10n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1 incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid scintillation counting and lumino...


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


(Mus musculus (mouse))
BDBM209533
PNG
(US9271969, 21)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NC1(CC1)c1cc(F)ccc1F
Show InChI InChI=1/C31H29F2N3O3/c32-24-10-11-26(33)25(16-24)31(13-14-31)35-30(39)27-18-36-17-23(9-12-28(36)34-27)22-7-5-21(6-8-22)20-3-1-19(2-4-20)15-29(37)38/h5-12,16-20H,1-4,13-15H2,(H,35,39)(H,37,38)/t19-,20?
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n/an/a<10n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)

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


(Mus musculus (mouse))
BDBM209542
PNG
(US9271969, 30)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1c(Cl)cccc1C(F)(F)F
Show InChI InChI=1/C30H27ClF3N3O3/c31-25-3-1-2-24(30(32,33)34)23(25)15-35-29(40)26-17-37-16-22(12-13-27(37)36-26)21-10-8-20(9-11-21)19-6-4-18(5-7-19)14-28(38)39/h1-3,8-13,16-19H,4-7,14-15H2,(H,35,40)(H,38,39)/t18-,19?
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n/an/a<10n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)

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


(Mus musculus (mouse))
BDBM209554
PNG
(US9271969, 42)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1c(F)cc(Cl)cc1F
Show InChI InChI=1/C29H26ClF2N3O3/c30-22-12-24(31)23(25(32)13-22)14-33-29(38)26-16-35-15-21(9-10-27(35)34-26)20-7-5-19(6-8-20)18-3-1-17(2-4-18)11-28(36)37/h5-10,12-13,15-18H,1-4,11,14H2,(H,33,38)(H,36,37)/t17-,18?
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n/an/a<10n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)

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


(Mus musculus (mouse))
BDBM209555
PNG
(US9271969, 43)
Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1/C30H29Cl2N3O3/c1-18-12-24(31)14-26(32)25(18)15-33-30(38)27-17-35-16-23(10-11-28(35)34-27)22-8-6-21(7-9-22)20-4-2-19(3-5-20)13-29(36)37/h6-12,14,16-17,19-20H,2-5,13,15H2,1H3,(H,33,38)(H,36,37)/t19-,20?
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n/an/a<10n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)

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


(Mus musculus (mouse))
BDBM209556
PNG
(US9271969, 44)
Show SMILES Cc1cc(C)c(CNC(=O)c2cn3cc(ccc3n2)-c2ccc(cc2)C2CC[C@H](CC(O)=O)CC2)c(C)c1
Show InChI InChI=1/C32H35N3O3/c1-20-14-21(2)28(22(3)15-20)17-33-32(38)29-19-35-18-27(12-13-30(35)34-29)26-10-8-25(9-11-26)24-6-4-23(5-7-24)16-31(36)37/h8-15,18-19,23-24H,4-7,16-17H2,1-3H3,(H,33,38)(H,36,37)/t23-,24?
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n/an/a<10n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)

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


(Mus musculus (mouse))
BDBM209564
PNG
(US9271969, 52)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)Nc1cccc(OC(F)(F)F)c1
Show InChI InChI=1/C27H24F3N3O4S/c28-27(29,30)37-21-3-1-2-20(13-21)31-25(36)22-14-33-15-23(38-26(33)32-22)19-10-8-18(9-11-19)17-6-4-16(5-7-17)12-24(34)35/h1-3,8-11,13-17H,4-7,12H2,(H,31,36)(H,34,35)/t16-,17-
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KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)

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


(Mus musculus (mouse))
BDBM209573
PNG
(US9271969, 61)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)NCc1c(Cl)cccc1Cl
Show InChI InChI=1/C27H25Cl2N3O3S/c28-21-2-1-3-22(29)20(21)13-30-26(35)23-14-32-15-24(36-27(32)31-23)19-10-8-18(9-11-19)17-6-4-16(5-7-17)12-25(33)34/h1-3,8-11,14-17H,4-7,12-13H2,(H,30,35)(H,33,34)/t16-,17-
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n/an/a<10n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)

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


(Mus musculus (mouse))
BDBM209576
PNG
(US9271969, 64)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)NCc1c(F)cc(Cl)cc1F
Show InChI InChI=1/C27H24ClF2N3O3S/c28-19-10-21(29)20(22(30)11-19)12-31-26(36)23-13-33-14-24(37-27(33)32-23)18-7-5-17(6-8-18)16-3-1-15(2-4-16)9-25(34)35/h5-8,10-11,13-16H,1-4,9,12H2,(H,31,36)(H,34,35)/t15-,16-
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KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)

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


(Mus musculus (mouse))
BDBM50031506
PNG
(CHEMBL3342772)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1
Show InChI InChI=1/C24H27ClN4O3/c25-17-4-7-20-21(13-17)28-23(27-20)16-3-8-22(26-14-16)29-11-9-19(10-12-29)32-18-5-1-15(2-6-18)24(30)31/h3-4,7-8,13-15,18-19H,1-2,5-6,9-12H2,(H,27,28)(H,30,31)/t15-,18+
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


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


(Mus musculus (mouse))
BDBM209528
PNG
(US9271969, 16)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1/C28H26ClN3O3/c29-23-2-1-3-24(15-23)30-28(35)25-17-32-16-22(12-13-26(32)31-25)21-10-8-20(9-11-21)19-6-4-18(5-7-19)14-27(33)34/h1-3,8-13,15-19H,4-7,14H2,(H,30,35)(H,33,34)/t18-,19?
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n/an/a 11.7n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)

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


(Mus musculus (mouse))
BDBM50437375
PNG
(CHEMBL2408635)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H22N4O3/c29-24(30)15-5-9-18(10-6-15)31-22-12-8-16(13-26-22)19-11-7-17(14-25-19)23-27-20-3-1-2-4-21(20)28-23/h1-4,7-8,11-15,18H,5-6,9-10H2,(H,27,28)(H,29,30)/t15-,18-
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse DGAT1


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


(Mus musculus (mouse))
BDBM209529
PNG
(US9271969, 17)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc(F)c(Cl)c1
Show InChI InChI=1/C29H27ClFN3O3/c30-24-13-19(3-11-25(24)31)15-32-29(37)26-17-34-16-23(10-12-27(34)33-26)22-8-6-21(7-9-22)20-4-1-18(2-5-20)14-28(35)36/h3,6-13,16-18,20H,1-2,4-5,14-15H2,(H,32,37)(H,35,36)/t18-,20?
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n/an/a 12.2n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)

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


(Mus musculus (mouse))
BDBM50437378
PNG
(CHEMBL2408628)
Show SMILES COc1ccc2[nH]c(nc2n1)-c1ccc(nc1)-c1ccc(O[C@H]2CC[C@H](CC2)C(O)=O)nc1
Show InChI InChI=1S/C24H23N5O4/c1-32-21-11-9-19-23(28-21)29-22(27-19)16-4-8-18(25-13-16)15-5-10-20(26-12-15)33-17-6-2-14(3-7-17)24(30)31/h4-5,8-14,17H,2-3,6-7H2,1H3,(H,30,31)(H,27,28,29)/t14-,17+
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse DGAT1


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


(Mus musculus (mouse))
BDBM20726
PNG
((1R,2R)-2-({4-[4-({[4-(trifluoromethyl)phenyl]carb...)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H23F3N2O4/c28-27(29,30)19-10-14-21(15-11-19)32-26(36)31-20-12-8-17(9-13-20)16-4-6-18(7-5-16)24(33)22-2-1-3-23(22)25(34)35/h4-15,22-23H,1-3H2,(H,34,35)(H2,31,32,36)/t22-,23-/m1/s1
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n/an/a 14n/an/an/an/a7.522



Abbott Laboratories



Assay Description
DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The r...


Citation and Details
More data for this
Ligand-Target Pair
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