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Compile Data Set for Download or QSAR

Found 299 hits with Last Name = 'saku' and Initial = 'o'   
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
Extracellular calcium-sensing receptor


(Rattus norvegicus)
BDBM50272596
PNG
(CHEMBL4126450)
Show SMILES Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)-c1nn[nH]n1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H24N6.ClH/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)24-19-13-14-29(15-19)20-11-9-18(10-12-20)23-25-27-28-26-23;/h2-12,16,19,24H,13-15H2,1H3,(H,25,26,27,28);1H/t16-,19+;/m1./s1
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n/an/a 0.470n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA


Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
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
Show InChI InChI=1S/C24H24F3N3O3/c1-14-10-19(33-13-22(2,3)21(31)32)28-11-17(14)15-4-6-16(7-5-15)20-29-12-18(30-20)23(8-9-23)24(25,26)27/h4-7,10-12H,8-9,13H2,1-3H3,(H,29,30)(H,31,32)
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n/an/a 0.630n/an/an/an/a7.430



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)


BindingDB Entry DOI: 10.7270/Q2TM790N
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
Show InChI InChI=1S/C21H21F3N4O3/c1-11-6-16(31-10-20(3,4)19(29)30)25-8-14(11)13-5-12(2)17(26-7-13)18-27-9-15(28-18)21(22,23)24/h5-9H,10H2,1-4H3,(H,27,28)(H,29,30)
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n/an/a 0.700n/an/an/an/a7.430



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)


BindingDB Entry DOI: 10.7270/Q2TM790N
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
Show InChI InChI=1S/C22H19F4N3O3/c1-12-7-18(32-11-21(20(30)31)5-2-6-21)27-9-15(12)13-3-4-14(16(23)8-13)19-28-10-17(29-19)22(24,25)26/h3-4,7-10H,2,5-6,11H2,1H3,(H,28,29)(H,30,31)
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n/an/a 0.75n/an/an/an/a7.430



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)


BindingDB Entry DOI: 10.7270/Q2TM790N
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
Show InChI InChI=1S/C21H21F3N4O3/c1-3-20(4-2,19(29)30)12-31-17-8-6-14(10-26-17)13-5-7-15(25-9-13)18-27-11-16(28-18)21(22,23)24/h5-11H,3-4,12H2,1-2H3,(H,27,28)(H,29,30)
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n/an/a 0.760n/an/an/an/a7.430



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)


BindingDB Entry DOI: 10.7270/Q2TM790N
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
Show InChI InChI=1S/C22H22F3N3O3/c1-12-7-14(5-6-15(12)19-27-10-17(28-19)22(23,24)25)16-9-26-18(8-13(16)2)31-11-21(3,4)20(29)30/h5-10H,11H2,1-4H3,(H,27,28)(H,29,30)
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n/an/a 0.780n/an/an/an/a7.430



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)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM395359
PNG
(US10308636, Example 44-6)
Show SMILES OC(=O)c1cccc(OCC2CCN(CC2)c2ccc(cn2)-c2nc(c[nH]2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C22H20ClF3N4O3/c23-19-15(21(31)32)2-1-3-16(19)33-12-13-6-8-30(9-7-13)18-5-4-14(10-27-18)20-28-11-17(29-20)22(24,25)26/h1-5,10-11,13H,6-9,12H2,(H,28,29)(H,31,32)
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n/an/a 0.780n/an/an/an/an/an/a



Wyeth Research



Assay Description
As a buffer used for the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH7.4), 200 mM Sucrose, and 20 mM MgCl2, 0.125% Bovin Serum Albumin (BSA) were...


Bioorg Med Chem Lett 19: 3485-8 (2009)


BindingDB Entry DOI: 10.7270/Q28S4S76
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
Show InChI InChI=1S/C22H19ClF3N3O3/c1-12-7-18(32-11-21(20(30)31)5-2-6-21)27-9-15(12)13-3-4-14(16(23)8-13)19-28-10-17(29-19)22(24,25)26/h3-4,7-10H,2,5-6,11H2,1H3,(H,28,29)(H,30,31)
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n/an/a 0.820n/an/an/an/a7.430



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)


BindingDB Entry DOI: 10.7270/Q2TM790N
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
Show InChI InChI=1S/C20H17F4N3O3/c1-19(2,18(28)29)10-30-17-14(21)7-13(8-26-17)11-3-5-12(6-4-11)16-25-9-15(27-16)20(22,23)24/h3-9H,10H2,1-2H3,(H,25,27)(H,28,29)
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n/an/a 0.870n/an/an/an/a7.430



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)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Rattus norvegicus)
BDBM50272602
PNG
(CHEMBL4126877)
Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCCO)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C25H29N3O2.2ClH/c1-18(23-8-4-6-19-5-2-3-7-24(19)23)27-21-13-15-28(17-21)22-11-9-20(10-12-22)25(30)26-14-16-29;;/h2-12,18,21,27,29H,13-17H2,1H3,(H,26,30);2*1H/t18-,21+;;/m1../s1
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n/an/a 0.910n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA


Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM395327
PNG
(US10308636, Example 4-15)
Show SMILES CCC(CC)(COc1cnc(cn1)-c1ccc(nc1)-c1ncc([nH]1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C25H25N5O3/c1-3-25(4-2,24(31)32)16-33-22-15-27-20(13-28-22)18-10-11-19(26-12-18)23-29-14-21(30-23)17-8-6-5-7-9-17/h5-15H,3-4,16H2,1-2H3,(H,29,30)(H,31,32)
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n/an/a 0.940n/an/an/an/an/an/a



Wyeth Research



Assay Description
As a buffer used for the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH7.4), 200 mM Sucrose, and 20 mM MgCl2, 0.125% Bovin Serum Albumin (BSA) were...


Bioorg Med Chem Lett 19: 3485-8 (2009)


BindingDB Entry DOI: 10.7270/Q28S4S76
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
Show InChI InChI=1S/C21H19F4N3O3/c1-11-6-17(31-10-20(2,3)19(29)30)26-8-14(11)12-4-5-13(15(22)7-12)18-27-9-16(28-18)21(23,24)25/h4-9H,10H2,1-3H3,(H,27,28)(H,29,30)
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n/an/a 0.960n/an/an/an/a7.430



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)


BindingDB Entry DOI: 10.7270/Q2TM790N
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
Show InChI InChI=1S/C21H18ClF5N4O3/c1-10-4-15(34-9-19(2,3)18(32)33)28-7-12(10)11-5-13(22)16(29-6-11)17-30-8-14(31-17)20(23,24)21(25,26)27/h4-8H,9H2,1-3H3,(H,30,31)(H,32,33)
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n/an/a 1n/an/an/an/a7.430



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)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM395380
PNG
(US10308636, Example 75)
Show SMILES COC(=O)C(C)(C)COc1ccc(cn1)-c1ccc(cc1)-c1nc(Oc2ccc(cc2)C#N)n(COCC[Si](C)(C)C)n1
Show InChI InChI=1S/C32H37N5O5Si/c1-32(2,30(38)39-3)21-41-28-16-13-26(20-34-28)24-9-11-25(12-10-24)29-35-31(42-27-14-7-23(19-33)8-15-27)37(36-29)22-40-17-18-43(4,5)6/h7-16,20H,17-18,21-22H2,1-6H3
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n/an/a 1.10n/an/an/an/an/an/a



Wyeth Research



Assay Description
As a buffer used for the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH7.4), 200 mM Sucrose, and 20 mM MgCl2, 0.125% Bovin Serum Albumin (BSA) were...


Bioorg Med Chem Lett 19: 3485-8 (2009)


BindingDB Entry DOI: 10.7270/Q28S4S76
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM395381
PNG
(US10308636, Example 74)
Show SMILES COC(=O)C(C)(C)COc1ccc(cn1)-c1ccc(cc1)-c1nc(OCC(F)(F)C(F)(F)F)n(COCC[Si](C)(C)C)n1
Show InChI InChI=1S/C28H35F5N4O5Si/c1-26(2,24(38)39-3)16-41-22-12-11-21(15-34-22)19-7-9-20(10-8-19)23-35-25(42-17-27(29,30)28(31,32)33)37(36-23)18-40-13-14-43(4,5)6/h7-12,15H,13-14,16-18H2,1-6H3
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Wyeth Research



Assay Description
As a buffer used for the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH7.4), 200 mM Sucrose, and 20 mM MgCl2, 0.125% Bovin Serum Albumin (BSA) were...


Bioorg Med Chem Lett 19: 3485-8 (2009)


BindingDB Entry DOI: 10.7270/Q28S4S76
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM395378
PNG
(US10308636, Example 110)
Show SMILES COC(=O)C(C)(C)COc1ccc(cn1)-c1ccc(cc1)-c1nc(n[nH]1)-c1ccc(OC)cc1
Show InChI InChI=1S/C26H26N4O4/c1-26(2,25(31)33-4)16-34-22-14-11-20(15-27-22)17-5-7-18(8-6-17)23-28-24(30-29-23)19-9-12-21(32-3)13-10-19/h5-15H,16H2,1-4H3,(H,28,29,30)
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Wyeth Research



Assay Description
As a buffer used for the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH7.4), 200 mM Sucrose, and 20 mM MgCl2, 0.125% Bovin Serum Albumin (BSA) were...


Bioorg Med Chem Lett 19: 3485-8 (2009)


BindingDB Entry DOI: 10.7270/Q28S4S76
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
Show InChI InChI=1S/C21H19ClF3N3O3/c1-11-6-17(31-10-20(2,3)19(29)30)26-8-14(11)12-4-5-13(15(22)7-12)18-27-9-16(28-18)21(23,24)25/h4-9H,10H2,1-3H3,(H,27,28)(H,29,30)
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n/an/a 1.20n/an/an/an/a7.430



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)


BindingDB Entry DOI: 10.7270/Q2TM790N
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
Show InChI InChI=1S/C24H27N3O3/c1-15-10-21(30-14-24(2,3)23(28)29)25-13-20(15)17-6-8-18(9-7-17)22-26-12-19(27-22)11-16-4-5-16/h6-10,12-13,16H,4-5,11,14H2,1-3H3,(H,26,27)(H,28,29)
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n/an/a 1.20n/an/an/an/a7.430



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)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM395364
PNG
(US10308636, Example 46-5)
Show SMILES Fc1ccccc1OC[C@H]1CC[C@@H](CC1)c1ccc(cn1)-c1nc(c[nH]1)C(F)(F)F |r,wU:12.16,wD:9.9,(-7.12,-1.57,;-7.12,-3.11,;-8.5,-3.85,;-8.45,-5.42,;-7.12,-6.19,;-5.79,-5.42,;-5.79,-3.88,;-4.45,-3.11,;-3.12,-3.88,;-1.78,-3.11,;-.45,-3.88,;.88,-3.11,;.88,-1.57,;-.45,-.8,;-1.78,-1.57,;2.22,-.8,;2.22,.74,;3.55,1.51,;4.88,.74,;4.88,-.8,;3.55,-1.57,;6.22,1.51,;6.22,3.05,;7.7,3.56,;8.59,2.28,;7.68,1.03,;8.17,5.03,;8.65,6.49,;9.64,4.55,;6.71,5.5,)|
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Wyeth Research



Assay Description
As a buffer used for the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH7.4), 200 mM Sucrose, and 20 mM MgCl2, 0.125% Bovin Serum Albumin (BSA) were...


Bioorg Med Chem Lett 19: 3485-8 (2009)


BindingDB Entry DOI: 10.7270/Q28S4S76
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
Show InChI InChI=1S/C20H18ClF3N4O3/c1-10-4-15(31-9-19(2,3)18(29)30)25-7-12(10)11-5-13(21)16(26-6-11)17-27-8-14(28-17)20(22,23)24/h4-8H,9H2,1-3H3,(H,27,28)(H,29,30)
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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)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Rattus norvegicus)
BDBM50272605
PNG
(CHEMBL4128542)
Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCCN(C1)c1cccc(OC(F)(F)F)c1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H25F3N2O.2ClH/c1-17(22-13-4-8-18-7-2-3-12-23(18)22)28-19-9-6-14-29(16-19)20-10-5-11-21(15-20)30-24(25,26)27;;/h2-5,7-8,10-13,15,17,19,28H,6,9,14,16H2,1H3;2*1H/t17-,19-;;/m1../s1
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n/an/a 1.40n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA


Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
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
Show InChI InChI=1S/C20H18F4N4O3/c1-10-4-15(31-9-19(2,3)18(29)30)25-7-12(10)11-5-13(21)16(26-6-11)17-27-8-14(28-17)20(22,23)24/h4-8H,9H2,1-3H3,(H,27,28)(H,29,30)
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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)


BindingDB Entry DOI: 10.7270/Q2TM790N
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
Show InChI InChI=1S/C20H18F3N3O3/c1-19(2,18(27)28)11-29-14-6-3-12(4-7-14)15-8-5-13(9-24-15)17-25-10-16(26-17)20(21,22)23/h3-10H,11H2,1-2H3,(H,25,26)(H,27,28)
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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)


BindingDB Entry DOI: 10.7270/Q2TM790N
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
Show InChI InChI=1S/C23H23F4N3O3/c1-4-22(5-2,21(31)32)12-33-19-8-13(3)16(10-28-19)14-6-7-15(17(24)9-14)20-29-11-18(30-20)23(25,26)27/h6-11H,4-5,12H2,1-3H3,(H,29,30)(H,31,32)
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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)


BindingDB Entry DOI: 10.7270/Q2TM790N
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
Show InChI InChI=1S/C24H23F4N3O3/c1-13-8-19(34-12-22(2,3)21(32)33)29-10-16(13)14-4-5-15(17(25)9-14)20-30-11-18(31-20)23(6-7-23)24(26,27)28/h4-5,8-11H,6-7,12H2,1-3H3,(H,30,31)(H,32,33)
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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)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM395361
PNG
(US10308636, Example 45-1)
Show SMILES CCOC(=O)c1cccc(OCC2CCN(CC2)c2ccc(cc2)-c2nc(cn2COCC[Si](C)(C)C)C(F)(F)F)c1C
Show InChI InChI=1S/C32H42F3N3O4Si/c1-6-41-31(39)27-8-7-9-28(23(27)2)42-21-24-14-16-37(17-15-24)26-12-10-25(11-13-26)30-36-29(32(33,34)35)20-38(30)22-40-18-19-43(3,4)5/h7-13,20,24H,6,14-19,21-22H2,1-5H3
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Wyeth Research



Assay Description
As a buffer used for the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH7.4), 200 mM Sucrose, and 20 mM MgCl2, 0.125% Bovin Serum Albumin (BSA) were...


Bioorg Med Chem Lett 19: 3485-8 (2009)


BindingDB Entry DOI: 10.7270/Q28S4S76
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
Show InChI InChI=1S/C20H17F4N3O3/c1-19(2,18(28)29)10-30-16-6-4-12(8-25-16)11-3-5-13(14(21)7-11)17-26-9-15(27-17)20(22,23)24/h3-9H,10H2,1-2H3,(H,26,27)(H,28,29)
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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)


BindingDB Entry DOI: 10.7270/Q2TM790N
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
Show InChI InChI=1S/C21H18ClF3N4O3/c1-11-5-16(32-10-20(19(30)31)3-2-4-20)26-8-13(11)12-6-14(22)17(27-7-12)18-28-9-15(29-18)21(23,24)25/h5-9H,2-4,10H2,1H3,(H,28,29)(H,30,31)
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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)


BindingDB Entry DOI: 10.7270/Q2TM790N
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
Show InChI InChI=1S/C21H17F4N3O3/c1-11-6-17(31-10-20(4-5-20)19(29)30)26-8-14(11)12-2-3-13(15(22)7-12)18-27-9-16(28-18)21(23,24)25/h2-3,6-9H,4-5,10H2,1H3,(H,27,28)(H,29,30)
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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)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM395325
PNG
(US10308636, Example 4-1)
Show SMILES Cc1cc(OCC(C)(C)C(=O)OC(C)(C)C)ncc1-c1cnc(-c2ncc([nH]2)-c2ccccc2)c(F)c1
Show InChI InChI=1S/C29H31FN4O3/c1-18-12-24(36-17-29(5,6)27(35)37-28(2,3)4)31-15-21(18)20-13-22(30)25(32-14-20)26-33-16-23(34-26)19-10-8-7-9-11-19/h7-16H,17H2,1-6H3,(H,33,34)
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Wyeth Research



Assay Description
As a buffer used for the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH7.4), 200 mM Sucrose, and 20 mM MgCl2, 0.125% Bovin Serum Albumin (BSA) were...


Bioorg Med Chem Lett 19: 3485-8 (2009)


BindingDB Entry DOI: 10.7270/Q28S4S76
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
Show InChI InChI=1S/C20H18F5N5O3/c1-10-4-15(33-9-18(2,3)17(31)32)28-5-11(10)12-6-27-13(7-26-12)16-29-8-14(30-16)19(21,22)20(23,24)25/h4-8H,9H2,1-3H3,(H,29,30)(H,31,32)
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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)


BindingDB Entry DOI: 10.7270/Q2TM790N
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
Show InChI InChI=1S/C19H18F3N5O3/c1-10-4-15(30-9-18(2,3)17(28)29)25-5-11(10)12-6-24-13(7-23-12)16-26-8-14(27-16)19(20,21)22/h4-8H,9H2,1-3H3,(H,26,27)(H,28,29)
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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)


BindingDB Entry DOI: 10.7270/Q2TM790N
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
Show InChI InChI=1S/C22H22F4N4O3/c1-4-21(5-2,20(31)32)11-33-17-6-12(3)14(9-27-17)13-7-15(23)18(28-8-13)19-29-10-16(30-19)22(24,25)26/h6-10H,4-5,11H2,1-3H3,(H,29,30)(H,31,32)
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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)


BindingDB Entry DOI: 10.7270/Q2TM790N
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
Show InChI InChI=1S/C19H18F3N5O3/c1-10-4-14(30-9-18(2,3)17(28)29)23-7-12(10)11-5-24-15(25-6-11)16-26-8-13(27-16)19(20,21)22/h4-8H,9H2,1-3H3,(H,26,27)(H,28,29)
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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)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM395383
PNG
(US10308636, Example 78)
Show SMILES NC(=O)c1ccc(Br)cc1F
Show InChI InChI=1S/C7H5BrFNO/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)
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Wyeth Research



Assay Description
As a buffer used for the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH7.4), 200 mM Sucrose, and 20 mM MgCl2, 0.125% Bovin Serum Albumin (BSA) were...


Bioorg Med Chem Lett 19: 3485-8 (2009)


BindingDB Entry DOI: 10.7270/Q28S4S76
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM395345
PNG
(US10308636, Example 32-2)
Show SMILES Cc1cc(OCC(C)(C)C(O)=O)ncc1-c1ccc(cc1)-c1nc(c[nH]1)C#N
Show InChI InChI=1S/C21H20N4O3/c1-13-8-18(28-12-21(2,3)20(26)27)23-11-17(13)14-4-6-15(7-5-14)19-24-10-16(9-22)25-19/h4-8,10-11H,12H2,1-3H3,(H,24,25)(H,26,27)
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Wyeth Research



Assay Description
As a buffer used for the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH7.4), 200 mM Sucrose, and 20 mM MgCl2, 0.125% Bovin Serum Albumin (BSA) were...


Bioorg Med Chem Lett 19: 3485-8 (2009)


BindingDB Entry DOI: 10.7270/Q28S4S76
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
Show InChI InChI=1S/C24H28ClN3O3/c1-14(2)8-17-11-27-22(28-17)18-7-6-16(10-20(18)25)19-12-26-21(9-15(19)3)31-13-24(4,5)23(29)30/h6-7,9-12,14H,8,13H2,1-5H3,(H,27,28)(H,29,30)
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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)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM395386
PNG
(US10308636, Example 83)
Show SMILES C[Si](C)(C)CCOCn1nc(nc1Oc1ccc(F)cc1)-c1ccc(Br)cc1F
Show InChI InChI=1S/C20H22BrF2N3O2Si/c1-29(2,3)11-10-27-13-26-20(28-16-7-5-15(22)6-8-16)24-19(25-26)17-9-4-14(21)12-18(17)23/h4-9,12H,10-11,13H2,1-3H3
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Wyeth Research



Assay Description
As a buffer used for the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH7.4), 200 mM Sucrose, and 20 mM MgCl2, 0.125% Bovin Serum Albumin (BSA) were...


Bioorg Med Chem Lett 19: 3485-8 (2009)


BindingDB Entry DOI: 10.7270/Q28S4S76
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
Show InChI InChI=1S/C25H25F4N3O3/c1-14-9-20(35-13-23(2,3)22(33)34)30-11-17(14)15-5-6-16(18(26)10-15)21-31-12-19(32-21)24(7-4-8-24)25(27,28)29/h5-6,9-12H,4,7-8,13H2,1-3H3,(H,31,32)(H,33,34)
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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)


BindingDB Entry DOI: 10.7270/Q2TM790N
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
Show InChI InChI=1S/C20H16F4N4O3/c1-10-4-15(31-9-19(2-3-19)18(29)30)25-7-12(10)11-5-13(21)16(26-6-11)17-27-8-14(28-17)20(22,23)24/h4-8H,2-3,9H2,1H3,(H,27,28)(H,29,30)
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n/an/a 1.90n/an/an/an/a7.430



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)


BindingDB Entry DOI: 10.7270/Q2TM790N
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
Show InChI InChI=1S/C21H20F3N3O3/c1-20(2,9-18(28)29)12-30-15-6-3-13(4-7-15)16-8-5-14(10-25-16)19-26-11-17(27-19)21(22,23)24/h3-8,10-11H,9,12H2,1-2H3,(H,26,27)(H,28,29)
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n/an/a 2n/an/an/an/a7.430



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)


BindingDB Entry DOI: 10.7270/Q2TM790N
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
Show InChI InChI=1S/C20H17F4N3O3/c1-19(2,18(28)29)10-30-15-6-4-11(7-13(15)21)14-5-3-12(8-25-14)17-26-9-16(27-17)20(22,23)24/h3-9H,10H2,1-2H3,(H,26,27)(H,28,29)
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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)


BindingDB Entry DOI: 10.7270/Q2TM790N
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
Show InChI InChI=1S/C21H18F4N4O3/c1-11-5-16(32-10-20(19(30)31)3-2-4-20)26-8-13(11)12-6-14(22)17(27-7-12)18-28-9-15(29-18)21(23,24)25/h5-9H,2-4,10H2,1H3,(H,28,29)(H,30,31)
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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)


BindingDB Entry DOI: 10.7270/Q2TM790N
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
Show InChI InChI=1S/C20H16F5N3O3/c1-19(2,18(29)30)9-31-17-14(22)6-11(7-27-17)10-3-4-12(13(21)5-10)16-26-8-15(28-16)20(23,24)25/h3-8H,9H2,1-2H3,(H,26,28)(H,29,30)
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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)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM395326
PNG
(US10308636, Example 4-3)
Show SMILES Cc1cc(OCC2(CCC2)C(O)=O)ncc1-c1cnc(nc1)-c1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C25H23N5O3/c1-16-10-21(33-15-25(24(31)32)8-5-9-25)26-13-19(16)18-11-27-22(28-12-18)23-29-14-20(30-23)17-6-3-2-4-7-17/h2-4,6-7,10-14H,5,8-9,15H2,1H3,(H,29,30)(H,31,32)
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Wyeth Research



Assay Description
As a buffer used for the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH7.4), 200 mM Sucrose, and 20 mM MgCl2, 0.125% Bovin Serum Albumin (BSA) were...


Bioorg Med Chem Lett 19: 3485-8 (2009)


BindingDB Entry DOI: 10.7270/Q28S4S76
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM220958
PNG
(US9302996, 73)
Show SMILES Cc1cc(OCC(C)(C)C(O)=O)ncc1-c1ccc(cc1)-c1ncc([nH]1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N3O3/c1-12-8-17(30-11-20(2,3)19(28)29)25-9-15(12)13-4-6-14(7-5-13)18-26-10-16(27-18)21(22,23)24/h4-10H,11H2,1-3H3,(H,26,27)(H,28,29)
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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)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Rattus norvegicus)
BDBM50272606
PNG
(CHEMBL4125917)
Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCCN(C1)c1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H25F3N2.2ClH/c1-17(22-13-4-8-18-7-2-3-12-23(18)22)28-20-10-6-14-29(16-20)21-11-5-9-19(15-21)24(25,26)27;;/h2-5,7-9,11-13,15,17,20,28H,6,10,14,16H2,1H3;2*1H/t17-,20-;;/m1../s1
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n/an/a 2.10n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA


Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
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
Show InChI InChI=1S/C23H23ClF3N3O3/c1-4-22(5-2,21(31)32)12-33-19-8-13(3)16(10-28-19)14-6-7-15(17(24)9-14)20-29-11-18(30-20)23(25,26)27/h6-11H,4-5,12H2,1-3H3,(H,29,30)(H,31,32)
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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)


BindingDB Entry DOI: 10.7270/Q2TM790N
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
Show InChI InChI=1S/C22H19F6N3O3/c1-11-6-17(34-10-20(2,3)19(32)33)29-8-14(11)12-4-5-13(15(23)7-12)18-30-9-16(31-18)21(24,25)22(26,27)28/h4-9H,10H2,1-3H3,(H,30,31)(H,32,33)
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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)


BindingDB Entry DOI: 10.7270/Q2TM790N
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM395313
PNG
(US10308636, Example 1-34)
Show SMILES CC(C)(COc1ccc(cc1)-c1ccc(cn1)-c1ncc([nH]1)-c1cccs1)C(O)=O
Show InChI InChI=1S/C23H21N3O3S/c1-23(2,22(27)28)14-29-17-8-5-15(6-9-17)18-10-7-16(12-24-18)21-25-13-19(26-21)20-4-3-11-30-20/h3-13H,14H2,1-2H3,(H,25,26)(H,27,28)
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Wyeth Research



Assay Description
As a buffer used for the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH7.4), 200 mM Sucrose, and 20 mM MgCl2, 0.125% Bovin Serum Albumin (BSA) were...


Bioorg Med Chem Lett 19: 3485-8 (2009)


BindingDB Entry DOI: 10.7270/Q28S4S76
More data for this
Ligand-Target Pair
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