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Compile Data Set for Download or QSAR

Found 1057 hits of ic50 data for polymerid = 2090   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Diacylglycerol O-acyltransferase 1


(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
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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...


US Patent US9296708 (2016)

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


(Homo sapiens (human))
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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n/an/a 0.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DGAT1-mediated triacylglycerol synthesis in human HuTu80 cells


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


(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
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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...


US Patent US9296708 (2016)

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


(Homo sapiens (human))
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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n/an/a 0.600n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...


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


(Homo sapiens (human))
BDBM220924
PNG
(US9302996, 39)
Show SMILES Cc1cc(OCC(C)(C)C(O)=O)ncc1-c1ccc(cc1)-c1ncc([nH]1)C1(CC1)C(F)(F)F
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n/an/a 0.630n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM220966
PNG
(US9302996, 114 | US9302996, 81)
Show SMILES Cc1cc(OCC(C)(C)C(O)=O)ncc1-c1cnc(-c2ncc([nH]2)C(F)(F)F)c(C)c1
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n/an/a 0.700n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM220983
PNG
(US9302996, 98-3)
Show SMILES Cc1cc(OCC2(CCC2)C(O)=O)ncc1-c1ccc(-c2nc(c[nH]2)C(F)(F)F)c(F)c1
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n/an/a 0.75n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM220908
PNG
(US9302996, 23)
Show SMILES CCC(CC)(COc1ccc(cn1)-c1ccc(nc1)-c1ncc([nH]1)C(F)(F)F)C(O)=O
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n/an/a 0.760n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM220962
PNG
(US9302996, 77)
Show SMILES Cc1cc(ccc1-c1ncc([nH]1)C(F)(F)F)-c1cnc(OCC(C)(C)C(O)=O)cc1C
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n/an/a 0.780n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM220986
PNG
(US9302996, 101-3)
Show SMILES Cc1cc(OCC2(CCC2)C(O)=O)ncc1-c1ccc(-c2nc(c[nH]2)C(F)(F)F)c(Cl)c1
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n/an/a 0.820n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM220975
PNG
(US9302996, 90)
Show SMILES CC(C)(COc1ncc(cc1F)-c1ccc(cc1)-c1ncc([nH]1)C(F)(F)F)C(O)=O
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n/an/a 0.870n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM220947
PNG
(US9302996, 62-3)
Show SMILES Cc1cc(OCC(C)(C)C(O)=O)ncc1-c1ccc(-c2nc(c[nH]2)C(F)(F)F)c(F)c1
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n/an/a 0.960n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM209552
PNG
(US9271969, 40)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1cc(F)c(F)c(F)c1
Show InChI InChI=1/C28H24F3N3O3/c29-22-12-21(13-23(30)27(22)31)32-28(37)24-15-34-14-20(9-10-25(34)33-24)19-7-5-18(6-8-19)17-3-1-16(2-4-17)11-26(35)36/h5-10,12-17H,1-4,11H2,(H,32,37)(H,35,36)/t16-,17?
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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


(Homo sapiens (human))
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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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


(Homo sapiens (human))
BDBM221020
PNG
(US9302996, 135)
Show SMILES Cc1cc(OCC(C)(C)C(O)=O)ncc1-c1cnc(-c2ncc([nH]2)C(F)(F)C(F)(F)F)c(Cl)c1
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n/an/a 1n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM209558
PNG
(US9271969, 46)
Show SMILES CC(C)(C)c1ccc(CNC(=O)c2cn3cc(sc3n2)-c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)cc1
Show InChI InChI=1/C31H35N3O3S/c1-31(2,3)25-14-6-21(7-15-25)17-32-29(37)26-18-34-19-27(38-30(34)33-26)24-12-10-23(11-13-24)22-8-4-20(5-9-22)16-28(35)36/h6-7,10-15,18-20,22H,4-5,8-9,16-17H2,1-3H3,(H,32,37)(H,35,36)/t20-,22-
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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


(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
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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...


US Patent US9296708 (2016)

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


(Homo sapiens (human))
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 human DGAT1


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


(Homo sapiens (human))
BDBM220993
PNG
(US9302996, 108)
Show SMILES Cc1cc(OCC(C)(C)C(O)=O)ncc1-c1ccc(cc1)-c1ncc(CC2CC2)[nH]1
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n/an/a 1.20n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM220948
PNG
(US9302996, 63-3)
Show SMILES Cc1cc(OCC(C)(C)C(O)=O)ncc1-c1ccc(-c2nc(c[nH]2)C(F)(F)F)c(Cl)c1
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n/an/a 1.20n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
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 human DGAT1


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


(Homo sapiens (human))
BDBM220997
PNG
(US9302996, 112)
Show SMILES Cc1cc(OCC(C)(C)C(O)=O)ncc1-c1cnc(-c2ncc([nH]2)C(F)(F)F)c(Cl)c1
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n/an/a 1.30n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(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
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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...


US Patent US9296708 (2016)

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


(Homo sapiens (human))
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 human DGAT1


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


(Homo sapiens (human))
BDBM220886
PNG
(US9302996, 1-3)
Show SMILES CC(C)(COc1ccc(cc1)-c1ccc(cn1)-c1nc(c[nH]1)C(F)(F)F)C(O)=O
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n/an/a 1.40n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM220992
PNG
(US9302996, 107)
Show SMILES Cc1cc(OCC(C)(C)C(O)=O)ncc1-c1cnc(-c2ncc([nH]2)C(F)(F)F)c(F)c1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM221019
PNG
(US9302996, 134)
Show SMILES CCC(CC)(COc1cc(C)c(cn1)-c1ccc(-c2ncc([nH]2)C(F)(F)F)c(F)c1)C(O)=O
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM220961
PNG
(US9302996, 76)
Show SMILES CC(C)(COc1ccc(cn1)-c1ccc(-c2ncc([nH]2)C(F)(F)F)c(F)c1)C(O)=O
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM220939
PNG
(US9302996, 54-4)
Show SMILES Cc1cc(OCC(C)(C)C(O)=O)ncc1-c1ccc(-c2ncc([nH]2)C2(CC2)C(F)(F)F)c(F)c1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM221018
PNG
(US9302996, 133)
Show SMILES Cc1cc(OCC2(CC2)C(O)=O)ncc1-c1ccc(-c2ncc([nH]2)C(F)(F)F)c(F)c1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM220984
PNG
(US9302996, 99-6)
Show SMILES Cc1cc(OCC2(CCC2)C(O)=O)ncc1-c1cnc(-c2nc(c[nH]2)C(F)(F)F)c(Cl)c1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM220980
PNG
(US9302996, 95-6)
Show SMILES Cc1cc(OCC(C)(C)C(O)=O)ncc1-c1cnc(cn1)-c1nc(c[nH]1)C(F)(F)F
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM221023
PNG
(US9302996, 138)
Show SMILES CCC(CC)(COc1cc(C)c(cn1)-c1cnc(-c2ncc([nH]2)C(F)(F)F)c(F)c1)C(O)=O
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
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 human DGAT1


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


(Homo sapiens (human))
BDBM221011
PNG
(US9302996, 126)
Show SMILES Cc1cc(OCC(C)(C)C(O)=O)ncc1-c1cnc(nc1)-c1ncc([nH]1)C(F)(F)F
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM221033
PNG
(US9302996, 148)
Show SMILES Cc1cc(OCC(C)(C)C(O)=O)ncc1-c1cnc(cn1)-c1ncc([nH]1)C(F)(F)C(F)(F)F
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(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
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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...


US Patent US9296708 (2016)

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


(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
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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...


US Patent US9296708 (2016)

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


(Homo sapiens (human))
BDBM220937
PNG
(US9302996, 52)
Show SMILES Cc1cc(OCC(C)(C)C(O)=O)ncc1-c1ccc(-c2ncc([nH]2)C2(CCC2)C(F)(F)F)c(F)c1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM221005
PNG
(US9302996, 120)
Show SMILES CC(C)Cc1cnc([nH]1)-c1ccc(cc1Cl)-c1cnc(OCC(C)(C)C(O)=O)cc1C
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM221021
PNG
(US9302996, 136)
Show SMILES Cc1cc(OCC2(CC2)C(O)=O)ncc1-c1cnc(-c2ncc([nH]2)C(F)(F)F)c(F)c1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM221022
PNG
(US9302996, 137)
Show SMILES Cc1cc(OCC2(CCC2)C(O)=O)ncc1-c1cnc(-c2ncc([nH]2)C(F)(F)F)c(F)c1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM220889
PNG
(US9302996, 4-2)
Show SMILES CC(C)(COc1ccc(cc1F)-c1ccc(cn1)-c1nc(c[nH]1)C(F)(F)F)C(O)=O
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
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 human DGAT1


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


(Homo sapiens (human))
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 human DGAT1


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


(Homo sapiens (human))
BDBM220969
PNG
(US9302996, 84)
Show SMILES CC(C)(COc1ncc(cc1F)-c1ccc(-c2ncc([nH]2)C(F)(F)F)c(F)c1)C(O)=O
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM220950
PNG
(US9302996, 65)
Show SMILES CC(C)(COc1ccc(cc1)-c1ccc(cn1)-c1ncc([nH]1)C(F)(F)F)CC(O)=O
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM221025
PNG
(US9302996, 140)
Show SMILES CCC(CC)(COc1cc(C)c(cn1)-c1ccc(-c2ncc([nH]2)C(F)(F)F)c(Cl)c1)C(O)=O
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
BDBM221009
PNG
(US9302996, 124)
Show SMILES Cc1cc(OCC(C)(C)C(O)=O)ncc1-c1ccc(-c2ncc([nH]2)C(F)(F)C(F)(F)F)c(F)c1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) w...


US Patent US9302996 (2016)

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


(Homo sapiens (human))
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 human DGAT1


Citation and Details
More data for this
Ligand-Target Pair
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