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Patent code US8530460

Compile Data Set for Download or QSAR

Found 200 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
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101974
PNG
(US8530460, 1.54)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ccc(OCC3CC3(F)F)cc2F)cc1 |r|
Show InChI InChI=1S/C23H25F3N2O3/c1-14(27-15(2)29)16-3-5-18(6-4-16)31-20-11-28(12-20)22-8-7-19(9-21(22)24)30-13-17-10-23(17,25)26/h3-9,14,17,20H,10-13H2,1-2H3,(H,27,29)/t14-,17?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM102069
PNG
(US8530460, 8.7)
Show SMILES CCOc1ccc(cc1)N1CC(C1)Oc1ccc(cc1)[C@H](C)NC(=O)c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H26N4O3/c1-3-29-20-10-6-19(7-11-20)27-14-22(15-27)30-21-8-4-17(5-9-21)16(2)26-23(28)18-12-24-25-13-18/h4-13,16,22H,3,14-15H2,1-2H3,(H,24,25)(H,26,28)/t16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101985
PNG
(US8530460, 2.2)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ccc(OCC3CC3)cc2F)cc1 |r|
Show InChI InChI=1S/C23H27FN2O3/c1-15(25-16(2)27)18-5-7-19(8-6-18)29-21-12-26(13-21)23-10-9-20(11-22(23)24)28-14-17-3-4-17/h5-11,15,17,21H,3-4,12-14H2,1-2H3,(H,25,27)/t15-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101955
PNG
(US8530460, 1.35)
Show SMILES CCCOc1ccc(cc1)N1CC(C1)Oc1ccc(cc1)[C@H](C)NC(=O)C1CC1 |r|
Show InChI InChI=1S/C24H30N2O3/c1-3-14-28-21-12-8-20(9-13-21)26-15-23(16-26)29-22-10-6-18(7-11-22)17(2)25-24(27)19-4-5-19/h6-13,17,19,23H,3-5,14-16H2,1-2H3,(H,25,27)/t17-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101933
PNG
(US8530460, 1.13)
Show SMILES CCCOc1ccc(cc1)N1CC(C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C22H28N2O3/c1-4-13-26-20-11-7-19(8-12-20)24-14-22(15-24)27-21-9-5-18(6-10-21)16(2)23-17(3)25/h5-12,16,22H,4,13-15H2,1-3H3,(H,23,25)/t16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101934
PNG
(US8530460, 1.14)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C23H28N2O3/c1-16(24-17(2)26)19-5-9-22(10-6-19)28-23-13-25(14-23)20-7-11-21(12-8-20)27-15-18-3-4-18/h5-12,16,18,23H,3-4,13-15H2,1-2H3,(H,24,26)/t16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101926
PNG
(US8530460, 1.6)
Show SMILES CC(NC(C)=O)c1ccc(OC2CN(C2)c2ccc(OC3CCCC3)cc2)cc1
Show InChI InChI=1S/C24H30N2O3/c1-17(25-18(2)27)19-7-11-22(12-8-19)29-24-15-26(16-24)20-9-13-23(14-10-20)28-21-5-3-4-6-21/h7-14,17,21,24H,3-6,15-16H2,1-2H3,(H,25,27)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101972
PNG
(US8530460, 1.52)
Show SMILES CCCOc1ccc(nc1)N1CC(C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C21H27N3O3/c1-4-11-26-19-9-10-21(22-12-19)24-13-20(14-24)27-18-7-5-17(6-8-18)15(2)23-16(3)25/h5-10,12,15,20H,4,11,13-14H2,1-3H3,(H,23,25)/t15-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101989
PNG
(US8530460, 2.6)
Show SMILES CCCOc1ccc(N2CC(C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c(Cl)c1 |r|
Show InChI InChI=1S/C22H27ClN2O3/c1-4-11-27-19-9-10-22(21(23)12-19)25-13-20(14-25)28-18-7-5-17(6-8-18)15(2)24-16(3)26/h5-10,12,15,20H,4,11,13-14H2,1-3H3,(H,24,26)/t15-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101939
PNG
(US8530460, 1.19)
Show SMILES CCOc1ccc(cc1)N1CC(C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C21H26N2O3/c1-4-25-19-11-7-18(8-12-19)23-13-21(14-23)26-20-9-5-17(6-10-20)15(2)22-16(3)24/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,24)/t15-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM102055
PNG
(US8530460, 6.1)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ncc(cn2)-c2ccc(F)cc2)cc1 |r|
Show InChI InChI=1S/C23H23FN4O2/c1-15(27-16(2)29)17-5-9-21(10-6-17)30-22-13-28(14-22)23-25-11-19(12-26-23)18-3-7-20(24)8-4-18/h3-12,15,22H,13-14H2,1-2H3,(H,27,29)/t15-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM102129
PNG
(US8530460, 13)
Show SMILES CC(NC(C)=O)c1ccc(OC2CN(C2)c2ccc(OCC3CC3)cc2)c(F)c1
Show InChI InChI=1S/C23H27FN2O3/c1-15(25-16(2)27)18-5-10-23(22(24)11-18)29-21-12-26(13-21)19-6-8-20(9-7-19)28-14-17-3-4-17/h5-11,15,17,21H,3-4,12-14H2,1-2H3,(H,25,27)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM102038
PNG
(US8530460, 4.32)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ccc(Cl)c(n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C19H19ClF3N3O2/c1-11(24-12(2)27)13-3-5-14(6-4-13)28-15-9-26(10-15)17-8-7-16(20)18(25-17)19(21,22)23/h3-8,11,15H,9-10H2,1-2H3,(H,24,27)/t11-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101975
PNG
(US8530460, 1.55)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ccc(OC3CC3)cc2F)cc1 |r|
Show InChI InChI=1S/C22H25FN2O3/c1-14(24-15(2)26)16-3-5-17(6-4-16)28-20-12-25(13-20)22-10-9-19(11-21(22)23)27-18-7-8-18/h3-6,9-11,14,18,20H,7-8,12-13H2,1-2H3,(H,24,26)/t14-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101944
PNG
(US8530460, 1.24)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ccc3OCCOc3c2)cc1 |r|
Show InChI InChI=1S/C21H24N2O4/c1-14(22-15(2)24)16-3-6-18(7-4-16)27-19-12-23(13-19)17-5-8-20-21(11-17)26-10-9-25-20/h3-8,11,14,19H,9-10,12-13H2,1-2H3,(H,22,24)/t14-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101965
PNG
(US8530460, 1.45)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2c(F)cc(OC3CC3)cc2F)cc1 |r|
Show InChI InChI=1S/C22H24F2N2O3/c1-13(25-14(2)27)15-3-5-16(6-4-15)29-19-11-26(12-19)22-20(23)9-18(10-21(22)24)28-17-7-8-17/h3-6,9-10,13,17,19H,7-8,11-12H2,1-2H3,(H,25,27)/t13-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101924
PNG
(US8530460, 1.4)
Show SMILES CC(NC(C)=O)c1ccc(OC2CN(C2)c2ccc(OC3CCC3)cc2)cc1
Show InChI InChI=1S/C23H28N2O3/c1-16(24-17(2)26)18-6-10-21(11-7-18)28-23-14-25(15-23)19-8-12-22(13-9-19)27-20-4-3-5-20/h6-13,16,20,23H,3-5,14-15H2,1-2H3,(H,24,26)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101938
PNG
(US8530460, 1.18)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ccc3OCC(C)(C)COc3c2)cc1 |r|
Show InChI InChI=1S/C24H30N2O4/c1-16(25-17(2)27)18-5-8-20(9-6-18)30-21-12-26(13-21)19-7-10-22-23(11-19)29-15-24(3,4)14-28-22/h5-11,16,21H,12-15H2,1-4H3,(H,25,27)/t16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101993
PNG
(US8530460, 2.10)
Show SMILES CCOc1ccc(cc1)N1CC(C1)Oc1ccc(cc1)[C@H](C)NC(=O)C1CC1 |r|
Show InChI InChI=1S/C23H28N2O3/c1-3-27-20-12-8-19(9-13-20)25-14-22(15-25)28-21-10-6-17(7-11-21)16(2)24-23(26)18-4-5-18/h6-13,16,18,22H,3-5,14-15H2,1-2H3,(H,24,26)/t16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM102057
PNG
(US8530460, 6.3)
Show SMILES CC(NC(C)=O)c1ccc(OC2CN(C2)c2ncc(cn2)C2CC2)cc1
Show InChI InChI=1S/C20H24N4O2/c1-13(23-14(2)25)15-5-7-18(8-6-15)26-19-11-24(12-19)20-21-9-17(10-22-20)16-3-4-16/h5-10,13,16,19H,3-4,11-12H2,1-2H3,(H,23,25)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101976
PNG
(US8530460, 1.56)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2cccc(c2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C20H21F3N2O2/c1-13(24-14(2)26)15-6-8-18(9-7-15)27-19-11-25(12-19)17-5-3-4-16(10-17)20(21,22)23/h3-10,13,19H,11-12H2,1-2H3,(H,24,26)/t13-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM102067
PNG
(US8530460, 8.5)
Show SMILES C[C@H](NC(=O)c1cn[nH]c1)c1ccc(OC2CN(C2)c2ncc(cn2)C2CC2)cc1 |r|
Show InChI InChI=1S/C22H24N6O2/c1-14(27-21(29)18-10-25-26-11-18)15-4-6-19(7-5-15)30-20-12-28(13-20)22-23-8-17(9-24-22)16-2-3-16/h4-11,14,16,20H,2-3,12-13H2,1H3,(H,25,26)(H,27,29)/t14-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101988
PNG
(US8530460, 2.5)
Show SMILES CCCOc1ccc(N2CC(C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c(C)c1 |r|
Show InChI InChI=1S/C23H30N2O3/c1-5-12-27-21-10-11-23(16(2)13-21)25-14-22(15-25)28-20-8-6-19(7-9-20)17(3)24-18(4)26/h6-11,13,17,22H,5,12,14-15H2,1-4H3,(H,24,26)/t17-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101966
PNG
(US8530460, 1.46)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ccc(OC3CCC3)cc2C#N)cc1 |r|
Show InChI InChI=1S/C24H27N3O3/c1-16(26-17(2)28)18-6-8-21(9-7-18)30-23-14-27(15-23)24-11-10-22(12-19(24)13-25)29-20-4-3-5-20/h6-12,16,20,23H,3-5,14-15H2,1-2H3,(H,26,28)/t16-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM102090
PNG
(US8530460, 8.28)
Show SMILES CCOc1ccc(cc1)N1CC(C1)Oc1ccc(cc1)[C@H](C)NC(=O)c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C26H30N4O4S/c1-5-33-21-12-8-20(9-13-21)30-14-23(15-30)34-22-10-6-19(7-11-22)16(2)27-25(32)24-17(3)28-26(35-24)29-18(4)31/h6-13,16,23H,5,14-15H2,1-4H3,(H,27,32)(H,28,29,31)/t16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM102052
PNG
(US8530460, 5.1)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ncc(cn2)C2CC2)cc1 |r|
Show InChI InChI=1S/C20H24N4O2/c1-13(23-14(2)25)15-5-7-18(8-6-15)26-19-11-24(12-19)20-21-9-17(10-22-20)16-3-4-16/h5-10,13,16,19H,3-4,11-12H2,1-2H3,(H,23,25)/t13-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101921
PNG
(US8530460, 1.1)
Show SMILES CC(NC(C)=O)c1ccc(OC2CN(C2)c2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C23H30N2O2/c1-16(24-17(2)26)18-6-12-21(13-7-18)27-22-14-25(15-22)20-10-8-19(9-11-20)23(3,4)5/h6-13,16,22H,14-15H2,1-5H3,(H,24,26)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101935
PNG
(US8530460, 1.15)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2cnc(NC3CCC3)nc2)cc1 |r|
Show InChI InChI=1S/C21H27N5O2/c1-14(24-15(2)27)16-6-8-19(9-7-16)28-20-12-26(13-20)18-10-22-21(23-11-18)25-17-4-3-5-17/h6-11,14,17,20H,3-5,12-13H2,1-2H3,(H,24,27)(H,22,23,25)/t14-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101941
PNG
(US8530460, 1.21)
Show SMILES CCCOc1ccc(N2CC(C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c(OC)c1 |r|
Show InChI InChI=1S/C23H30N2O4/c1-5-12-28-20-10-11-22(23(13-20)27-4)25-14-21(15-25)29-19-8-6-18(7-9-19)16(2)24-17(3)26/h6-11,13,16,21H,5,12,14-15H2,1-4H3,(H,24,26)/t16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101952
PNG
(US8530460, 1.32)
Show SMILES C[C@H](NC(=O)N(C)C)c1ccc(OC2CN(C2)c2ccc(OC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C23H29N3O3/c1-16(24-23(27)25(2)3)17-4-8-19(9-5-17)29-22-14-26(15-22)18-6-10-20(11-7-18)28-21-12-13-21/h4-11,16,21-22H,12-15H2,1-3H3,(H,24,27)/t16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM102037
PNG
(US8530460, 4.31)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ncc(cc2F)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C19H19F4N3O2/c1-11(25-12(2)27)13-3-5-15(6-4-13)28-16-9-26(10-16)18-17(20)7-14(8-24-18)19(21,22)23/h3-8,11,16H,9-10H2,1-2H3,(H,25,27)/t11-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101951
PNG
(US8530460, 1.31)
Show SMILES CCCOc1ccc(cc1)N1CC(C1)Oc1ccc(cc1)[C@H](C)NC(=O)N(C)C |r|
Show InChI InChI=1S/C23H31N3O3/c1-5-14-28-20-12-8-19(9-13-20)26-15-22(16-26)29-21-10-6-18(7-11-21)17(2)24-23(27)25(3)4/h6-13,17,22H,5,14-16H2,1-4H3,(H,24,27)/t17-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101949
PNG
(US8530460, 1.29)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ccc3c(OCCCC3(C)C)c2)cc1 |r|
Show InChI InChI=1S/C25H32N2O3/c1-17(26-18(2)28)19-6-9-21(10-7-19)30-22-15-27(16-22)20-8-11-23-24(14-20)29-13-5-12-25(23,3)4/h6-11,14,17,22H,5,12-13,15-16H2,1-4H3,(H,26,28)/t17-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM102095
PNG
(US8530460, 8.33)
Show SMILES CCOc1ccc(cc1)N1CC(C1)Oc1ccc(cc1)[C@H](C)NC(=O)c1cnco1 |r|
Show InChI InChI=1S/C23H25N3O4/c1-3-28-19-10-6-18(7-11-19)26-13-21(14-26)30-20-8-4-17(5-9-20)16(2)25-23(27)22-12-24-15-29-22/h4-12,15-16,21H,3,13-14H2,1-2H3,(H,25,27)/t16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM102001
PNG
(US8530460, 3.5)
Show SMILES C[C@H](NC(=O)C1CC1)c1ccc(OC2CN(C2)c2ncc(cn2)C2CC2)cc1 |r|
Show InChI InChI=1S/C22H26N4O2/c1-14(25-21(27)17-4-5-17)15-6-8-19(9-7-15)28-20-12-26(13-20)22-23-10-18(11-24-22)16-2-3-16/h6-11,14,16-17,20H,2-5,12-13H2,1H3,(H,25,27)/t14-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101953
PNG
(US8530460, 1.33)
Show SMILES C[C@H](NC(=O)N(C)C)c1ccc(OC2CN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C24H31N3O3/c1-17(25-24(28)26(2)3)19-6-10-22(11-7-19)30-23-14-27(15-23)20-8-12-21(13-9-20)29-16-18-4-5-18/h6-13,17-18,23H,4-5,14-16H2,1-3H3,(H,25,28)/t17-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM102025
PNG
(US8530460, 4.19)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ccc(cn2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C19H20F3N3O2/c1-12(24-13(2)26)14-3-6-16(7-4-14)27-17-10-25(11-17)18-8-5-15(9-23-18)19(20,21)22/h3-9,12,17H,10-11H2,1-2H3,(H,24,26)/t12-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101925
PNG
(US8530460, 1.5)
Show SMILES CCOc1ccc(cc1)N1CC(C1)Oc1ccc(cc1)C(C)NC(C)=O
Show InChI InChI=1S/C21H26N2O3/c1-4-25-19-11-7-18(8-12-19)23-13-21(14-23)26-20-9-5-17(6-10-20)15(2)22-16(3)24/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,24)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101997
PNG
(US8530460, 3.1)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ncc(Br)cn2)cc1 |r|
Show InChI InChI=1S/C17H19BrN4O2/c1-11(21-12(2)23)13-3-5-15(6-4-13)24-16-9-22(10-16)17-19-7-14(18)8-20-17/h3-8,11,16H,9-10H2,1-2H3,(H,21,23)/t11-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM102118
PNG
(US8530460, 10.7)
Show SMILES CCOc1ccc(cc1)N1CC(C1)Oc1ccc(cc1)[C@H](C)NC(=O)OC |r|
Show InChI InChI=1S/C21H26N2O4/c1-4-26-18-11-7-17(8-12-18)23-13-20(14-23)27-19-9-5-16(6-10-19)15(2)22-21(24)25-3/h5-12,15,20H,4,13-14H2,1-3H3,(H,22,24)/t15-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101986
PNG
(US8530460, 2.3)
Show SMILES CCOc1ccc(N2CC(C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c(F)c1 |r|
Show InChI InChI=1S/C21H25FN2O3/c1-4-26-18-9-10-21(20(22)11-18)24-12-19(13-24)27-17-7-5-16(6-8-17)14(2)23-15(3)25/h5-11,14,19H,4,12-13H2,1-3H3,(H,23,25)/t14-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101922
PNG
(US8530460, 1.2)
Show SMILES CC(NC(C)=O)c1ccc(OC2CN(C2)c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C21H24N2O4/c1-14(22-15(2)24)16-3-6-18(7-4-16)27-19-12-23(13-19)17-5-8-20-21(11-17)26-10-9-25-20/h3-8,11,14,19H,9-10,12-13H2,1-2H3,(H,22,24)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM102004
PNG
(US8530460, 3.8)
Show SMILES C[C@H](NC(=O)N(C)C)c1ccc(OC2CN(C2)c2nccc(n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C19H22F3N5O2/c1-12(24-18(28)26(2)3)13-4-6-14(7-5-13)29-15-10-27(11-15)17-23-9-8-16(25-17)19(20,21)22/h4-9,12,15H,10-11H2,1-3H3,(H,24,28)/t12-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM102014
PNG
(US8530460, 4.8)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ccc(cn2)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C24H25N3O2/c1-17(26-18(2)28)19-8-11-22(12-9-19)29-23-15-27(16-23)24-13-10-21(14-25-24)20-6-4-3-5-7-20/h3-14,17,23H,15-16H2,1-2H3,(H,26,28)/t17-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM102019
PNG
(US8530460, 4.13)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2nc3ccccc3s2)cc1 |r|
Show InChI InChI=1S/C20H21N3O2S/c1-13(21-14(2)24)15-7-9-16(10-8-15)25-17-11-23(12-17)20-22-18-5-3-4-6-19(18)26-20/h3-10,13,17H,11-12H2,1-2H3,(H,21,24)/t13-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101964
PNG
(US8530460, 1.44)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ccc(OC3CC3)cc2C)cc1 |r|
Show InChI InChI=1S/C23H28N2O3/c1-15-12-21(27-20-8-9-20)10-11-23(15)25-13-22(14-25)28-19-6-4-18(5-7-19)16(2)24-17(3)26/h4-7,10-12,16,20,22H,8-9,13-14H2,1-3H3,(H,24,26)/t16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM101971
PNG
(US8530460, 1.51)
Show SMILES CCOc1ccc(nc1)N1CC(C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C20H25N3O3/c1-4-25-18-9-10-20(21-11-18)23-12-19(13-23)26-17-7-5-16(6-8-17)14(2)22-15(3)24/h5-11,14,19H,4,12-13H2,1-3H3,(H,22,24)/t14-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM102023
PNG
(US8530460, 4.17)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ccc(Br)cn2)cc1 |r|
Show InChI InChI=1S/C18H20BrN3O2/c1-12(21-13(2)23)14-3-6-16(7-4-14)24-17-10-22(11-17)18-8-5-15(19)9-20-18/h3-9,12,17H,10-11H2,1-2H3,(H,21,23)/t12-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM102043
PNG
(US8530460, 4.37)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ccc(F)c(n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C19H19F4N3O2/c1-11(24-12(2)27)13-3-5-14(6-4-13)28-15-9-26(10-15)17-8-7-16(20)18(25-17)19(21,22)23/h3-8,11,15H,9-10H2,1-2H3,(H,24,27)/t11-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))
BDBM102083
PNG
(US8530460, 8.21)
Show SMILES CCOc1ccc(cc1)N1CC(C1)Oc1ccc(cc1)[C@H](C)NC(=O)C1(CC1)C(F)(F)F |r|
Show InChI InChI=1S/C24H27F3N2O3/c1-3-31-19-10-6-18(7-11-19)29-14-21(15-29)32-20-8-4-17(5-9-20)16(2)28-22(30)23(12-13-23)24(25,26)27/h4-11,16,21H,3,12-15H2,1-2H3,(H,28,30)/t16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).


US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%