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Patent code US9340510

Compile Data Set for Download or QSAR

Found 245 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230484
PNG
(US9340510, 1.088)
Show SMILES C[C@H](NC(C)=O)c1ccc(CN2CCc3cc(OCC4CC4)ccc3C2)cc1
Show InChI InChI=1S/C24H30N2O2/c1-17(25-18(2)27)21-7-5-19(6-8-21)14-26-12-11-22-13-24(10-9-23(22)15-26)28-16-20-3-4-20/h5-10,13,17,20H,3-4,11-12,14-16H2,1-2H3,(H,25,27)/t17-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230638
PNG
(US9340510, 11.000)
Show SMILES C[C@H](NC(C)=O)c1ccc(CN2C[C@H](F)c3cc(OCC4CC4)ccc3C2)cc1
Show InChI InChI=1S/C24H29FN2O2/c1-16(26-17(2)28)20-7-5-18(6-8-20)12-27-13-21-9-10-22(29-15-19-3-4-19)11-23(21)24(25)14-27/h5-11,16,19,24H,3-4,12-15H2,1-2H3,(H,26,28)/t16-,24-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230488
PNG
(US9340510, 1.092)
Show SMILES C[C@H](NC(C)=O)c1ccc(CN2CC(F)c3cc(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C24H27F3N2O2/c1-15(28-16(2)30)18-5-3-17(4-6-18)11-29-12-19-7-8-21(9-22(19)23(25)13-29)31-14-20-10-24(20,26)27/h3-9,15,20,23H,10-14H2,1-2H3,(H,28,30)/t15-,20?,23?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230616
PNG
(US9340510, 5.004)
Show SMILES C[C@H](NC(=O)N(C)C)c1ccc(CN2CC(F)c3cc(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C25H30F3N3O2/c1-16(29-24(32)30(2)3)18-6-4-17(5-7-18)12-31-13-19-8-9-21(10-22(19)23(26)14-31)33-15-20-11-25(20,27)28/h4-10,16,20,23H,11-15H2,1-3H3,(H,29,32)/t16-,20?,23?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230615
PNG
(US9340510, 5.003)
Show SMILES C[C@H](NC(=O)N(C)C)c1ccc(CN2CCc3cc(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C25H31F2N3O2/c1-17(28-24(31)29(2)3)19-6-4-18(5-7-19)14-30-11-10-20-12-23(9-8-21(20)15-30)32-16-22-13-25(22,26)27/h4-9,12,17,22H,10-11,13-16H2,1-3H3,(H,28,31)/t17-,22?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230489
PNG
(US9340510, 1.093)
Show SMILES C[C@H](NC(C)=O)c1ccc(CN2CC(F)c3cc(OCC4CC4)ccc3C2)cc1
Show InChI InChI=1S/C24H29FN2O2/c1-16(26-17(2)28)20-7-5-18(6-8-20)12-27-13-21-9-10-22(29-15-19-3-4-19)11-23(21)24(25)14-27/h5-11,16,19,24H,3-4,12-15H2,1-2H3,(H,26,28)/t16-,24?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230623
PNG
(US9340510, 6.001)
Show SMILES C[C@H](NC(=O)N(C)C)c1ccc(CN2CC(F)c3cc(OCC4CC4)ccc3C2)cc1
Show InChI InChI=1S/C25H32FN3O2/c1-17(27-25(30)28(2)3)20-8-6-18(7-9-20)13-29-14-21-10-11-22(31-16-19-4-5-19)12-23(21)24(26)15-29/h6-12,17,19,24H,4-5,13-16H2,1-3H3,(H,27,30)/t17-,24?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230567
PNG
(US9340510, 3.024)
Show SMILES CCC(=O)N[C@@H](C)c1ccc(CN2CC(F)c3cc(OCC4CC4)ccc3C2)cc1
Show InChI InChI=1S/C25H31FN2O2/c1-3-25(29)27-17(2)20-8-6-18(7-9-20)13-28-14-21-10-11-22(30-16-19-4-5-19)12-23(21)24(26)15-28/h6-12,17,19,24H,3-5,13-16H2,1-2H3,(H,27,29)/t17-,24?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230558
PNG
(US9340510, 3.015)
Show SMILES C[C@H](NC(=O)C1(C)CC1)c1ccc(CN2CCc3cc(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C27H32F2N2O2/c1-18(30-25(32)26(2)10-11-26)20-5-3-19(4-6-20)15-31-12-9-21-13-24(8-7-22(21)16-31)33-17-23-14-27(23,28)29/h3-8,13,18,23H,9-12,14-17H2,1-2H3,(H,30,32)/t18-,23?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230448
PNG
(US9340510, 1.052)
Show SMILES C[C@H](NC(=O)C1CC1)c1ccc(CN2CCc3cc(OC[C@H]4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C26H30F2N2O2/c1-17(29-25(31)20-6-7-20)19-4-2-18(3-5-19)14-30-11-10-21-12-24(9-8-22(21)15-30)32-16-23-13-26(23,27)28/h2-5,8-9,12,17,20,23H,6-7,10-11,13-16H2,1H3,(H,29,31)/t17-,23+/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230611
PNG
(US9340510, 4.003)
Show SMILES C[C@H](NC(=O)C(F)F)c1ccc(CN2CCc3cc(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C24H26F4N2O2/c1-15(29-23(31)22(25)26)17-4-2-16(3-5-17)12-30-9-8-18-10-21(7-6-19(18)13-30)32-14-20-11-24(20,27)28/h2-7,10,15,20,22H,8-9,11-14H2,1H3,(H,29,31)/t15-,20?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230553
PNG
(US9340510, 3.010)
Show SMILES C[C@H](NC(=O)c1cn[nH]c1)c1ccc(CN2CCc3cc(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C26H28F2N4O2/c1-17(31-25(33)22-12-29-30-13-22)19-4-2-18(3-5-19)14-32-9-8-20-10-24(7-6-21(20)15-32)34-16-23-11-26(23,27)28/h2-7,10,12-13,17,23H,8-9,11,14-16H2,1H3,(H,29,30)(H,31,33)/t17-,23?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230628
PNG
(US9340510, 7.003)
Show SMILES C[C@H](NC(C)=O)c1ccc(CN2CCc3cc(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C24H28F2N2O2/c1-16(27-17(2)29)19-5-3-18(4-6-19)13-28-10-9-20-11-23(8-7-21(20)14-28)30-15-22-12-24(22,25)26/h3-8,11,16,22H,9-10,12-15H2,1-2H3,(H,27,29)/t16-,22?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230568
PNG
(US9340510, 3.025)
Show SMILES CCC(=O)Nc1nc(C)c(s1)C(=O)N[C@@H](C)c1ccc(CN2CC(F)c3cc(OCC4CC4)ccc3C2)cc1
Show InChI InChI=1S/C30H35FN4O3S/c1-4-27(36)34-30-33-19(3)28(39-30)29(37)32-18(2)22-9-7-20(8-10-22)14-35-15-23-11-12-24(38-17-21-5-6-21)13-25(23)26(31)16-35/h7-13,18,21,26H,4-6,14-17H2,1-3H3,(H,32,37)(H,33,34,36)/t18-,26?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230565
PNG
(US9340510, 3.022)
Show SMILES C[C@H](NC(=O)[C@H]1C[C@H](F)C1)c1ccc(CN2CCc3cc(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C27H31F3N2O2/c1-17(31-26(33)22-10-24(28)11-22)19-4-2-18(3-5-19)14-32-9-8-20-12-25(7-6-21(20)15-32)34-16-23-13-27(23,29)30/h2-7,12,17,22-24H,8-11,13-16H2,1H3,(H,31,33)/t17-,22-,23?,24-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230518
PNG
(US9340510, 2.020)
Show SMILES C[C@H](NC(=O)c1sc(NC(C)=O)nc1C)c1ccc(CN2CCc3cc(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C29H32F2N4O3S/c1-17(32-27(37)26-18(2)33-28(39-26)34-19(3)36)21-6-4-20(5-7-21)14-35-11-10-22-12-25(9-8-23(22)15-35)38-16-24-13-29(24,30)31/h4-9,12,17,24H,10-11,13-16H2,1-3H3,(H,32,37)(H,33,34,36)/t17-,24?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230562
PNG
(US9340510, 3.019)
Show SMILES C[C@H](NC(=O)c1cncs1)c1ccc(CN2CCc3cc(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C26H27F2N3O2S/c1-17(30-25(32)24-12-29-16-34-24)19-4-2-18(3-5-19)13-31-9-8-20-10-23(7-6-21(20)14-31)33-15-22-11-26(22,27)28/h2-7,10,12,16-17,22H,8-9,11,13-15H2,1H3,(H,30,32)/t17-,22?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230456
PNG
(US9340510, 1.060)
Show SMILES C[C@H](NC(=O)C1CC1)c1ccc(CN2CC(F)c3cc(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C26H29F3N2O2/c1-16(30-25(32)19-6-7-19)18-4-2-17(3-5-18)12-31-13-20-8-9-22(10-23(20)24(27)14-31)33-15-21-11-26(21,28)29/h2-5,8-10,16,19,21,24H,6-7,11-15H2,1H3,(H,30,32)/t16-,21?,24?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230545
PNG
(US9340510, 3.002)
Show SMILES C[C@H](NC(=O)C(C)(F)F)c1ccc(CN2CCc3cc(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C25H28F4N2O2/c1-16(30-23(32)24(2,26)27)18-5-3-17(4-6-18)13-31-10-9-19-11-22(8-7-20(19)14-31)33-15-21-12-25(21,28)29/h3-8,11,16,21H,9-10,12-15H2,1-2H3,(H,30,32)/t16-,21?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230496
PNG
(US9340510, 1.100)
Show SMILES CC(C)Oc1ccc2CN(Cc3ccc(cc3)[C@H](C)NC(C)=O)CC(F)c2c1
Show InChI InChI=1S/C23H29FN2O2/c1-15(2)28-21-10-9-20-13-26(14-23(24)22(20)11-21)12-18-5-7-19(8-6-18)16(3)25-17(4)27/h5-11,15-16,23H,12-14H2,1-4H3,(H,25,27)/t16-,23?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230447
PNG
(US9340510, 1.051)
Show SMILES C[C@H](NC(=O)C1CC1)c1ccc(CN2CCc3cc(OC[C@@H]4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C26H30F2N2O2/c1-17(29-25(31)20-6-7-20)19-4-2-18(3-5-19)14-30-11-10-21-12-24(9-8-22(21)15-30)32-16-23-13-26(23,27)28/h2-5,8-9,12,17,20,23H,6-7,10-11,13-16H2,1H3,(H,29,31)/t17-,23-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230563
PNG
(US9340510, 3.020)
Show SMILES C[C@H](NC(=O)c1conc1C)c1ccc(CN2CCc3cc(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C27H29F2N3O3/c1-17(30-26(33)25-16-35-31-18(25)2)20-5-3-19(4-6-20)13-32-10-9-21-11-24(8-7-22(21)14-32)34-15-23-12-27(23,28)29/h3-8,11,16-17,23H,9-10,12-15H2,1-2H3,(H,30,33)/t17-,23?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230530
PNG
(US9340510, 2.032)
Show SMILES C[C@H](NC(=O)c1sc(NC(C)=O)nc1C)c1ccc(CN2CCc3cc(OCC4CC4)ccc3C2)cc1
Show InChI InChI=1S/C29H34N4O3S/c1-18(30-28(35)27-19(2)31-29(37-27)32-20(3)34)23-8-6-21(7-9-23)15-33-13-12-24-14-26(11-10-25(24)16-33)36-17-22-4-5-22/h6-11,14,18,22H,4-5,12-13,15-17H2,1-3H3,(H,30,35)(H,31,32,34)/t18-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230544
PNG
(US9340510, 3.001)
Show SMILES C[C@H](NC(=O)CC#N)c1ccc(CN2CCc3cc(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C25H27F2N3O2/c1-17(29-24(31)8-10-28)19-4-2-18(3-5-19)14-30-11-9-20-12-23(7-6-21(20)15-30)32-16-22-13-25(22,26)27/h2-7,12,17,22H,8-9,11,13-16H2,1H3,(H,29,31)/t17-,22?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230560
PNG
(US9340510, 3.017)
Show SMILES CCC(=O)Nc1nc(C)c(s1)C(=O)N[C@@H](C)c1ccc(CN2CCc3cc(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C30H34F2N4O3S/c1-4-26(37)35-29-34-19(3)27(40-29)28(38)33-18(2)21-7-5-20(6-8-21)15-36-12-11-22-13-25(10-9-23(22)16-36)39-17-24-14-30(24,31)32/h5-10,13,18,24H,4,11-12,14-17H2,1-3H3,(H,33,38)(H,34,35,37)/t18-,24?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230609
PNG
(US9340510, 4.001)
Show SMILES CCC(=O)N[C@@H](C)c1ccc(CN2CCc3cc(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C25H30F2N2O2/c1-3-24(30)28-17(2)19-6-4-18(5-7-19)14-29-11-10-20-12-23(9-8-21(20)15-29)31-16-22-13-25(22,26)27/h4-9,12,17,22H,3,10-11,13-16H2,1-2H3,(H,28,30)/t17-,22?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230515
PNG
(US9340510, 2.017)
Show SMILES C[C@H](NC(=O)C1CC1)c1ccc(CN2CCc3cc(OCC4CCC4)ccc3C2)cc1
Show InChI InChI=1S/C27H34N2O2/c1-19(28-27(30)23-9-10-23)22-7-5-20(6-8-22)16-29-14-13-24-15-26(12-11-25(24)17-29)31-18-21-3-2-4-21/h5-8,11-12,15,19,21,23H,2-4,9-10,13-14,16-18H2,1H3,(H,28,30)/t19-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230513
PNG
(US9340510, 2.015)
Show SMILES C[C@H](NC(=O)C1CC1)c1ccc(CN2CCc3cc(OCC4CC(F)(F)C4)ccc3C2)cc1
Show InChI InChI=1S/C27H32F2N2O2/c1-18(30-26(32)22-6-7-22)21-4-2-19(3-5-21)15-31-11-10-23-12-25(9-8-24(23)16-31)33-17-20-13-27(28,29)14-20/h2-5,8-9,12,18,20,22H,6-7,10-11,13-17H2,1H3,(H,30,32)/t18-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230570
PNG
(US9340510, 3.027)
Show SMILES CCC(=O)N[C@@H](C)c1ccc(CN2CC(F)c3cc(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C25H29F3N2O2/c1-3-24(31)29-16(2)18-6-4-17(5-7-18)12-30-13-19-8-9-21(10-22(19)23(26)14-30)32-15-20-11-25(20,27)28/h4-10,16,20,23H,3,11-15H2,1-2H3,(H,29,31)/t16-,20?,23?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230549
PNG
(US9340510, 3.006)
Show SMILES C[C@H](NC(=O)C1CCC1)c1ccc(CN2CCc3cc(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C27H32F2N2O2/c1-18(30-26(32)21-3-2-4-21)20-7-5-19(6-8-20)15-31-12-11-22-13-25(10-9-23(22)16-31)33-17-24-14-27(24,28)29/h5-10,13,18,21,24H,2-4,11-12,14-17H2,1H3,(H,30,32)/t18-,24?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230493
PNG
(US9340510, 1.097)
Show SMILES C[C@H](NC(C)=O)c1ccc(CN2Cc3ccc(OCC4CC4)cc3C(F)(F)C2)cc1
Show InChI InChI=1S/C24H28F2N2O2/c1-16(27-17(2)29)20-7-5-18(6-8-20)12-28-13-21-9-10-22(30-14-19-3-4-19)11-23(21)24(25,26)15-28/h5-11,16,19H,3-4,12-15H2,1-2H3,(H,27,29)/t16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230531
PNG
(US9340510, 2.033)
Show SMILES CCC(=O)Nc1nc(C)c(s1)C(=O)N[C@@H](C)c1ccc(CN2CCc3cc(OCC4CC4)ccc3C2)cc1
Show InChI InChI=1S/C30H36N4O3S/c1-4-27(35)33-30-32-20(3)28(38-30)29(36)31-19(2)23-9-7-21(8-10-23)16-34-14-13-24-15-26(12-11-25(24)17-34)37-18-22-5-6-22/h7-12,15,19,22H,4-6,13-14,16-18H2,1-3H3,(H,31,36)(H,32,33,35)/t19-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230478
PNG
(US9340510, 1.082)
Show SMILES C[C@H](NC(C)=O)c1ccc(CN2CCc3cc(OCC4CC4(F)F)ccc3C2C)cc1
Show InChI InChI=1S/C25H30F2N2O2/c1-16(28-18(3)30)20-6-4-19(5-7-20)14-29-11-10-21-12-23(8-9-24(21)17(29)2)31-15-22-13-25(22,26)27/h4-9,12,16-17,22H,10-11,13-15H2,1-3H3,(H,28,30)/t16-,17?,22?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230469
PNG
(US9340510, 1.073)
Show SMILES COc1c(OCC2CCC2)ccc2CN(Cc3ccc(cc3)[C@H](C)NC(C)=O)CCc12
Show InChI InChI=1S/C26H34N2O3/c1-18(27-19(2)29)22-9-7-20(8-10-22)15-28-14-13-24-23(16-28)11-12-25(26(24)30-3)31-17-21-5-4-6-21/h7-12,18,21H,4-6,13-17H2,1-3H3,(H,27,29)/t18-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230556
PNG
(US9340510, 3.013)
Show SMILES C[C@H](NC(=O)C1(CC1)C#N)c1ccc(CN2CCc3cc(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C27H29F2N3O2/c1-18(31-25(33)26(17-30)9-10-26)20-4-2-19(3-5-20)14-32-11-8-21-12-24(7-6-22(21)15-32)34-16-23-13-27(23,28)29/h2-7,12,18,23H,8-11,13-16H2,1H3,(H,31,33)/t18-,23?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230473
PNG
(US9340510, 1.077)
Show SMILES COc1c(OCCC2CC2)ccc2CN(Cc3ccc(cc3)[C@H](C)NC(C)=O)CCc12
Show InChI InChI=1S/C26H34N2O3/c1-18(27-19(2)29)22-8-6-21(7-9-22)16-28-14-12-24-23(17-28)10-11-25(26(24)30-3)31-15-13-20-4-5-20/h6-11,18,20H,4-5,12-17H2,1-3H3,(H,27,29)/t18-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230451
PNG
(US9340510, 1.055)
Show SMILES COc1c(OCC2CCC2)ccc2CN(Cc3ccc(cc3)[C@H](C)NC(=O)C3CC3)CCc12
Show InChI InChI=1S/C28H36N2O3/c1-19(29-28(31)23-10-11-23)22-8-6-20(7-9-22)16-30-15-14-25-24(17-30)12-13-26(27(25)32-2)33-18-21-4-3-5-21/h6-9,12-13,19,21,23H,3-5,10-11,14-18H2,1-2H3,(H,29,31)/t19-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230422
PNG
(US9340510, 1.026)
Show SMILES CC(NC(C)=O)c1ccc(CN2CCc3c(Cl)c(OCC4CC4)ccc3C2)cc1
Show InChI InChI=1S/C24H29ClN2O2/c1-16(26-17(2)28)20-7-5-18(6-8-20)13-27-12-11-22-21(14-27)9-10-23(24(22)25)29-15-19-3-4-19/h5-10,16,19H,3-4,11-15H2,1-2H3,(H,26,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230429
PNG
(US9340510, 1.033)
Show SMILES CC(NC(C)=O)c1ccc(CN2CCc3c(Cl)c(OCC4CCC4)ccc3C2)cc1
Show InChI InChI=1S/C25H31ClN2O2/c1-17(27-18(2)29)21-8-6-19(7-9-21)14-28-13-12-23-22(15-28)10-11-24(25(23)26)30-16-20-4-3-5-20/h6-11,17,20H,3-5,12-16H2,1-2H3,(H,27,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


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More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230566
PNG
(US9340510, 3.023)
Show SMILES C[C@H](NC(=O)[C@H]1C[C@H](F)C1)c1ccc(CN2CC(F)c3cc(OCC4CC4)ccc3C2)cc1
Show InChI InChI=1S/C27H32F2N2O2/c1-17(30-27(32)22-10-23(28)11-22)20-6-4-18(5-7-20)13-31-14-21-8-9-24(33-16-19-2-3-19)12-25(21)26(29)15-31/h4-9,12,17,19,22-23,26H,2-3,10-11,13-16H2,1H3,(H,30,32)/t17-,22-,23-,26?/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


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More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230572
PNG
(US9340510, 3.029)
Show SMILES C[C@H](NC(=O)CC#N)c1ccc(CN2CC(F)c3cc(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C25H26F3N3O2/c1-16(30-24(32)8-9-29)18-4-2-17(3-5-18)12-31-13-19-6-7-21(10-22(19)23(26)14-31)33-15-20-11-25(20,27)28/h2-7,10,16,20,23H,8,11-15H2,1H3,(H,30,32)/t16-,20?,23?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230459
PNG
(US9340510, 1.063)
Show SMILES C[C@H](NC(C)=O)c1ccc(CN2CCc3cc(OCCC(F)F)ccc3C2)cc1
Show InChI InChI=1S/C23H28F2N2O2/c1-16(26-17(2)28)19-5-3-18(4-6-19)14-27-11-9-20-13-22(8-7-21(20)15-27)29-12-10-23(24)25/h3-8,13,16,23H,9-12,14-15H2,1-2H3,(H,26,28)/t16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230547
PNG
(US9340510, 3.004)
Show SMILES C[C@H](NC(=O)c1cnn(C)c1)c1ccc(CN2CCc3cc(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C27H30F2N4O2/c1-18(31-26(34)23-13-30-32(2)15-23)20-5-3-19(4-6-20)14-33-10-9-21-11-25(8-7-22(21)16-33)35-17-24-12-27(24,28)29/h3-8,11,13,15,18,24H,9-10,12,14,16-17H2,1-2H3,(H,31,34)/t18-,24?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230571
PNG
(US9340510, 3.028)
Show SMILES C[C@H](NC(=O)C1(CC1)C#N)c1ccc(CN2CC(F)c3cc(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C27H28F3N3O2/c1-17(32-25(34)26(16-31)8-9-26)19-4-2-18(3-5-19)12-33-13-20-6-7-22(10-23(20)24(28)14-33)35-15-21-11-27(21,29)30/h2-7,10,17,21,24H,8-9,11-15H2,1H3,(H,32,34)/t17-,21?,24?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230411
PNG
(US9340510, 1.015)
Show SMILES CC(NC(C)=O)c1ccc(CN2CCc3cc(OCC4CC(F)(F)C4)ccc3C2)cc1
Show InChI InChI=1S/C25H30F2N2O2/c1-17(28-18(2)30)21-5-3-19(4-6-21)14-29-10-9-22-11-24(8-7-23(22)15-29)31-16-20-12-25(26,27)13-20/h3-8,11,17,20H,9-10,12-16H2,1-2H3,(H,28,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230602
PNG
(US9340510, 3.059)
Show SMILES C[C@H](NC(=O)CO)c1ccc(CN2CC(F)c3cc(OCC4CC4)ccc3C2)cc1
Show InChI InChI=1S/C24H29FN2O3/c1-16(26-24(29)14-28)19-6-4-17(5-7-19)11-27-12-20-8-9-21(30-15-18-2-3-18)10-22(20)23(25)13-27/h4-10,16,18,23,28H,2-3,11-15H2,1H3,(H,26,29)/t16-,23?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230516
PNG
(US9340510, 2.018)
Show SMILES C[C@H](NC(=O)C1CC1)c1ccc(CN2CCc3cc(OCCC4CC4)ccc3C2)cc1
Show InChI InChI=1S/C27H34N2O2/c1-19(28-27(30)23-8-9-23)22-6-4-21(5-7-22)17-29-14-12-24-16-26(11-10-25(24)18-29)31-15-13-20-2-3-20/h4-7,10-11,16,19-20,23H,2-3,8-9,12-15,17-18H2,1H3,(H,28,30)/t19-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230648
PNG
(US9340510, 11.000)
Show SMILES C[C@H](NC(C)=O)c1ccc(CN2C[C@@H](F)c3cc(OCC4CC4)ccc3C2)cc1
Show InChI InChI=1S/C24H29FN2O2/c1-16(26-17(2)28)20-7-5-18(6-8-20)12-27-13-21-9-10-22(29-15-19-3-4-19)11-23(21)24(25)14-27/h5-11,16,19,24H,3-4,12-15H2,1-2H3,(H,26,28)/t16-,24+/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230569
PNG
(US9340510, 3.026)
Show SMILES C[C@H](NC(=O)CC#N)c1ccc(CN2CC(F)c3cc(OCC4CC4)ccc3C2)cc1
Show InChI InChI=1S/C25H28FN3O2/c1-17(28-25(30)10-11-27)20-6-4-18(5-7-20)13-29-14-21-8-9-22(31-16-19-2-3-19)12-23(21)24(26)15-29/h4-9,12,17,19,24H,2-3,10,13-16H2,1H3,(H,28,30)/t17-,24?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM230421
PNG
(US9340510, 1.025)
Show SMILES CC(NC(C)=O)c1ccc(CN2CCc3c(Cl)c(OCC4CC4(F)F)ccc3C2)cc1
Show InChI InChI=1S/C24H27ClF2N2O2/c1-15(28-16(2)30)18-5-3-17(4-6-18)12-29-10-9-21-19(13-29)7-8-22(23(21)25)31-14-20-11-24(20,26)27/h3-8,15,20H,9-14H2,1-2H3,(H,28,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


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