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Patent code US8877741

Compile Data Set for Download or QSAR

Found 485 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


(Homo sapiens (Human))
BDBM138997
PNG
(US8877741, 10.44)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2cccc(n2)N2CC=CC2)cc1 |r,c:26|
Show InChI InChI=1S/C23H28N4O2/c1-17(24-18(2)28)19-8-10-20(11-9-19)29-21-12-15-27(16-21)23-7-5-6-22(25-23)26-13-3-4-14-26/h3-11,17,21H,12-16H2,1-2H3,(H,24,28)/t17-,21+/m0/s1
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US Patent
n/an/a 665n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM139001
PNG
(US8877741, 10.48)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2cccc(n2)N2CCC(C)(C)C2)cc1 |r|
Show InChI InChI=1S/C25H34N4O2/c1-18(26-19(2)30)20-8-10-21(11-9-20)31-22-12-14-28(16-22)23-6-5-7-24(27-23)29-15-13-25(3,4)17-29/h5-11,18,22H,12-17H2,1-4H3,(H,26,30)/t18-,22+/m0/s1
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n/an/a 256n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM139011
PNG
(US8877741, 11.2)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC(F)(F)C(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C22H25F4N3O3/c1-14(28-15(2)30)16-3-5-17(6-4-16)32-19-9-10-29(12-19)20-8-7-18(11-27-20)31-13-22(25,26)21(23)24/h3-8,11,14,19,21H,9-10,12-13H2,1-2H3,(H,28,30)/t14-,19+/m0/s1
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n/an/a 870n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138525
PNG
(US8877741, 1.3)
Show SMILES CC(C)Oc1cc(ccn1)N1CCC(C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C22H29N3O3/c1-15(2)27-22-13-19(9-11-23-22)25-12-10-21(14-25)28-20-7-5-18(6-8-20)16(3)24-17(4)26/h5-9,11,13,15-16,21H,10,12,14H2,1-4H3,(H,24,26)/t16-,21?/m0/s1
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n/an/a 134n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138535
PNG
(US8877741, 1.13)
Show SMILES CCCOc1ccc(N2CCC(C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c(n1)C#N |r|
Show InChI InChI=1S/C23H28N4O3/c1-4-13-29-23-10-9-22(21(14-24)26-23)27-12-11-20(15-27)30-19-7-5-18(6-8-19)16(2)25-17(3)28/h5-10,16,20H,4,11-13,15H2,1-3H3,(H,25,28)/t16-,20?/m0/s1
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n/an/a 345n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138537
PNG
(US8877741, 1.15 | US8877741, 1.35)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccnc(OCC3CC3)c2)cc1 |r|
Show InChI InChI=1S/C23H29N3O3/c1-16(25-17(2)27)19-5-7-21(8-6-19)29-22-10-12-26(14-22)20-9-11-24-23(13-20)28-15-18-3-4-18/h5-9,11,13,16,18,22H,3-4,10,12,14-15H2,1-2H3,(H,25,27)/t16-,22?/m0/s1
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n/an/a 60n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138543
PNG
(US8877741, 1.21)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc(OC3CCC3)nc2)cc1 |r|
Show InChI InChI=1S/C23H29N3O3/c1-16(25-17(2)27)18-6-9-21(10-7-18)28-22-12-13-26(15-22)19-8-11-23(24-14-19)29-20-4-3-5-20/h6-11,14,16,20,22H,3-5,12-13,15H2,1-2H3,(H,25,27)/t16-,22?/m0/s1
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n/an/a 335n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138579
PNG
(US8877741, 1.57)
Show SMILES COc1cccc(n1)N1CCC(C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C20H25N3O3/c1-14(21-15(2)24)16-7-9-17(10-8-16)26-18-11-12-23(13-18)19-5-4-6-20(22-19)25-3/h4-10,14,18H,11-13H2,1-3H3,(H,21,24)/t14-,18?/m0/s1
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n/an/a 678n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138586
PNG
(US8877741, 1.64)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2cccc(n2)C(F)F)cc1 |r|
Show InChI InChI=1S/C20H23F2N3O2/c1-13(23-14(2)26)15-6-8-16(9-7-15)27-17-10-11-25(12-17)19-5-3-4-18(24-19)20(21)22/h3-9,13,17,20H,10-12H2,1-2H3,(H,23,26)/t13-,17?/m0/s1
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n/an/a 154n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138609
PNG
(US8877741, 1.87)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc(OCC(C)(C)F)cn2)cc1 |r|
Show InChI InChI=1S/C23H30FN3O3/c1-16(26-17(2)28)18-5-7-19(8-6-18)30-21-11-12-27(14-21)22-10-9-20(13-25-22)29-15-23(3,4)24/h5-10,13,16,21H,11-12,14-15H2,1-4H3,(H,26,28)/t16-,21?/m0/s1
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n/an/a 677n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138610
PNG
(US8877741, 1.88)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc(OCCCF)nc2)cc1 |r|
Show InChI InChI=1S/C22H28FN3O3/c1-16(25-17(2)27)18-4-7-20(8-5-18)29-21-10-12-26(15-21)19-6-9-22(24-14-19)28-13-3-11-23/h4-9,14,16,21H,3,10-13,15H2,1-2H3,(H,25,27)/t16-,21?/m0/s1
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n/an/a 423n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138616
PNG
(US8877741, 1.94)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C[C@H]2F)c2ccc(OCC3CC3(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C23H26F3N3O3/c1-14(28-15(2)30)16-3-5-18(6-4-16)32-21-12-29(11-20(21)24)22-8-7-19(10-27-22)31-13-17-9-23(17,25)26/h3-8,10,14,17,20-21H,9,11-13H2,1-2H3,(H,28,30)/t14-,17?,20+,21?/m0/s1
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n/an/a 94n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138619
PNG
(US8877741, 1.97)
Show SMILES CCN(C)c1ccnc(N2CC[C@H](C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c1F |r|
Show InChI InChI=1S/C22H29FN4O2/c1-5-26(4)20-10-12-24-22(21(20)23)27-13-11-19(14-27)29-18-8-6-17(7-9-18)15(2)25-16(3)28/h6-10,12,15,19H,5,11,13-14H2,1-4H3,(H,25,28)/t15-,19+/m0/s1
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n/an/a 970n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138633
PNG
(US8877741, 1.111)
Show SMILES CC(C)N(C)c1nccc(N2CC[C@H](C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c1F |r|
Show InChI InChI=1S/C23H31FN4O2/c1-15(2)27(5)23-22(24)21(10-12-25-23)28-13-11-20(14-28)30-19-8-6-18(7-9-19)16(3)26-17(4)29/h6-10,12,15-16,20H,11,13-14H2,1-5H3,(H,26,29)/t16-,20+/m0/s1
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n/an/a 112n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138635
PNG
(US8877741, 1.113)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(NC3CCCC3)c2F)cc1 |r|
Show InChI InChI=1S/C24H31FN4O2/c1-16(27-17(2)30)18-7-9-20(10-8-18)31-21-12-14-29(15-21)22-11-13-26-24(23(22)25)28-19-5-3-4-6-19/h7-11,13,16,19,21H,3-6,12,14-15H2,1-2H3,(H,26,28)(H,27,30)/t16-,21+/m0/s1
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n/an/a 163n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138647
PNG
(US8877741, 1.125)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(N3CCCC3)c2C)cc1 |r|
Show InChI InChI=1S/C24H32N4O2/c1-17-23(10-12-25-24(17)27-13-4-5-14-27)28-15-11-22(16-28)30-21-8-6-20(7-9-21)18(2)26-19(3)29/h6-10,12,18,22H,4-5,11,13-16H2,1-3H3,(H,26,29)/t18-,22+/m0/s1
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n/an/a 402n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138650
PNG
(US8877741, 1.128)
Show SMILES CCOc1ccc(N2CC[C@H](C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c(OC)n1 |r|
Show InChI InChI=1S/C22H29N3O4/c1-5-28-21-11-10-20(22(24-21)27-4)25-13-12-19(14-25)29-18-8-6-17(7-9-18)15(2)23-16(3)26/h6-11,15,19H,5,12-14H2,1-4H3,(H,23,26)/t15-,19+/m0/s1
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n/an/a 360n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138654
PNG
(US8877741, 1.132)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(N3CCC(F)(F)C3)c2Cl)cc1 |r|
Show InChI InChI=1S/C23H27ClF2N4O2/c1-15(28-16(2)31)17-3-5-18(6-4-17)32-19-8-11-29(13-19)20-7-10-27-22(21(20)24)30-12-9-23(25,26)14-30/h3-7,10,15,19H,8-9,11-14H2,1-2H3,(H,28,31)/t15-,19+/m0/s1
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n/an/a 41n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138662
PNG
(US8877741, 1.140)
Show SMILES CCC(=O)Nc1nc(C)c(s1)C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(C2)c2ccnc(NCC3CC3)c2Cl)cc1 |r|
Show InChI InChI=1S/C29H35ClN6O3S/c1-4-24(37)35-29-34-18(3)26(40-29)28(38)33-17(2)20-7-9-21(10-8-20)39-22-12-14-36(16-22)23-11-13-31-27(25(23)30)32-15-19-5-6-19/h7-11,13,17,19,22H,4-6,12,14-16H2,1-3H3,(H,31,32)(H,33,38)(H,34,35,37)/t17-,22+/m0/s1
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n/an/a 65n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138663
PNG
(US8877741, 1.141)
Show SMILES CCC(=O)Nc1nc(C)c(s1)C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(C2)c2ccnc(NCC(F)F)c2F)cc1 |r|
Show InChI InChI=1S/C27H31F3N6O3S/c1-4-22(37)35-27-34-16(3)24(40-27)26(38)33-15(2)17-5-7-18(8-6-17)39-19-10-12-36(14-19)20-9-11-31-25(23(20)30)32-13-21(28)29/h5-9,11,15,19,21H,4,10,12-14H2,1-3H3,(H,31,32)(H,33,38)(H,34,35,37)/t15-,19+/m0/s1
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n/an/a 421n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138665
PNG
(US8877741, 1.143)
Show SMILES CCC(=O)Nc1nc(C)c(s1)C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(C2)c2ccnc(NCC(F)F)c2Cl)cc1 |r|
Show InChI InChI=1S/C27H31ClF2N6O3S/c1-4-22(37)35-27-34-16(3)24(40-27)26(38)33-15(2)17-5-7-18(8-6-17)39-19-10-12-36(14-19)20-9-11-31-25(23(20)28)32-13-21(29)30/h5-9,11,15,19,21H,4,10,12-14H2,1-3H3,(H,31,32)(H,33,38)(H,34,35,37)/t15-,19+/m0/s1
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n/an/a 116n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138666
PNG
(US8877741, 1.144)
Show SMILES CCC(=O)Nc1nc(C)c(s1)C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(C2)c2ccc(OC[C@H]3CC3(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C29H33F2N5O4S/c1-4-25(37)35-28-34-18(3)26(41-28)27(38)33-17(2)19-5-7-21(8-6-19)40-23-11-12-36(15-23)24-10-9-22(14-32-24)39-16-20-13-29(20,30)31/h5-10,14,17,20,23H,4,11-13,15-16H2,1-3H3,(H,33,38)(H,34,35,37)/t17-,20+,23+/m0/s1
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n/an/a 93n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138670
PNG
(US8877741, 1.148)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(N3CCCC3)c2Cl)cc1 |r|
Show InChI InChI=1S/C23H29ClN4O2/c1-16(26-17(2)29)18-5-7-19(8-6-18)30-20-10-14-28(15-20)21-9-11-25-23(22(21)24)27-12-3-4-13-27/h5-9,11,16,20H,3-4,10,12-15H2,1-2H3,(H,26,29)/t16-,20+/m0/s1
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n/an/a 47n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138691
PNG
(US8877741, 2.17)
Show SMILES CC(C)Oc1cc(ccn1)N1CCC(C1)Oc1ccc(cc1)[C@H](C)NC(=O)C1(CC1)C(F)(F)F |r|
Show InChI InChI=1S/C25H30F3N3O3/c1-16(2)33-22-14-19(8-12-29-22)31-13-9-21(15-31)34-20-6-4-18(5-7-20)17(3)30-23(32)24(10-11-24)25(26,27)28/h4-8,12,14,16-17,21H,9-11,13,15H2,1-3H3,(H,30,32)/t17-,21?/m0/s1
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n/an/a 607n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138699
PNG
(US8877741, 2.25)
Show SMILES CC(C)Oc1cc(ccn1)N1CCC(C1)Oc1ccc(cc1)[C@H](C)NC(=O)C1CCC1 |r|
Show InChI InChI=1S/C25H33N3O3/c1-17(2)30-24-15-21(11-13-26-24)28-14-12-23(16-28)31-22-9-7-19(8-10-22)18(3)27-25(29)20-5-4-6-20/h7-11,13,15,17-18,20,23H,4-6,12,14,16H2,1-3H3,(H,27,29)/t18-,23?/m0/s1
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n/an/a 564n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138711
PNG
(US8877741, 2.37)
Show SMILES C[C@H](NC(=O)C1(CC1)C(F)(F)F)c1ccc(OC2CCN(C2)c2cccc(n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C23H23F6N3O2/c1-14(30-20(33)21(10-11-21)23(27,28)29)15-5-7-16(8-6-15)34-17-9-12-32(13-17)19-4-2-3-18(31-19)22(24,25)26/h2-8,14,17H,9-13H2,1H3,(H,30,33)/t14-,17?/m0/s1
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n/an/a 247n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138731
PNG
(US8877741, 2.57)
Show SMILES C[C@H](NC(=O)c1cnc(N)o1)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C25H27F2N5O4/c1-15(31-23(33)21-12-30-24(28)36-21)16-2-4-18(5-3-16)35-20-8-9-32(13-20)22-7-6-19(11-29-22)34-14-17-10-25(17,26)27/h2-7,11-12,15,17,20H,8-10,13-14H2,1H3,(H2,28,30)(H,31,33)/t15-,17?,20?/m0/s1
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n/an/a 255n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138739
PNG
(US8877741, 2.65)
Show SMILES C[C@H](NC(=O)C1(CC1)C#N)c1ccc(OC2CCN(C2)c2ccnc(OCC3CC3)c2)cc1 |r|
Show InChI InChI=1S/C26H30N4O3/c1-18(29-25(31)26(17-27)10-11-26)20-4-6-22(7-5-20)33-23-9-13-30(15-23)21-8-12-28-24(14-21)32-16-19-2-3-19/h4-8,12,14,18-19,23H,2-3,9-11,13,15-16H2,1H3,(H,29,31)/t18-,23?/m0/s1
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n/an/a 85n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138742
PNG
(US8877741, 2.68 | US8877741, 2.78)
Show SMILES C[C@@H](O)C(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccnc(OCC3CC3)c2)cc1 |r|
Show InChI InChI=1S/C24H31N3O4/c1-16(26-24(29)17(2)28)19-5-7-21(8-6-19)31-22-10-12-27(14-22)20-9-11-25-23(13-20)30-15-18-3-4-18/h5-9,11,13,16-18,22,28H,3-4,10,12,14-15H2,1-2H3,(H,26,29)/t16-,17+,22?/m0/s1
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n/an/a 265n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138743
PNG
(US8877741, 2.69 | US8877741, 2.76)
Show SMILES C[C@H](NC(=O)c1cnn(C)c1Cl)c1ccc(OC2CCN(C2)c2ccnc(OCC3CC3)c2)cc1 |r|
Show InChI InChI=1S/C26H30ClN5O3/c1-17(30-26(33)23-14-29-31(2)25(23)27)19-5-7-21(8-6-19)35-22-10-12-32(15-22)20-9-11-28-24(13-20)34-16-18-3-4-18/h5-9,11,13-14,17-18,22H,3-4,10,12,15-16H2,1-2H3,(H,30,33)/t17-,22?/m0/s1
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n/an/a 24n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138764
PNG
(US8877741, 2.90)
Show SMILES C[C@H](NC(=O)c1sc(NC(C)=O)nc1C)c1ccc(OC2CCN(C2)c2ccc(OC[C@H]3CC3(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C28H31F2N5O4S/c1-16(32-26(37)25-17(2)33-27(40-25)34-18(3)36)19-4-6-21(7-5-19)39-23-10-11-35(14-23)24-9-8-22(13-31-24)38-15-20-12-28(20,29)30/h4-9,13,16,20,23H,10-12,14-15H2,1-3H3,(H,32,37)(H,33,34,36)/t16-,20+,23?/m0/s1
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n/an/a 9n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138766
PNG
(US8877741, 2.92)
Show SMILES C[C@H](NC(=O)c1cnco1)c1ccc(OC2CCN(C2)c2ccc(OC[C@H]3CC3(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C25H26F2N4O4/c1-16(30-24(32)22-12-28-15-34-22)17-2-4-19(5-3-17)35-21-8-9-31(13-21)23-7-6-20(11-29-23)33-14-18-10-25(18,26)27/h2-7,11-12,15-16,18,21H,8-10,13-14H2,1H3,(H,30,32)/t16-,18+,21?/m0/s1
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n/an/a 110n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138767
PNG
(US8877741, 2.93)
Show SMILES C[C@H](NC(=O)c1cn[nH]c1)c1ccc(OC2CCN(C2)c2ccc(OC[C@H]3CC3(F)F)cn2)cc1 |r|
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n/an/a 40n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138784
PNG
(US8877741, 2.110)
Show SMILES C[C@H](NC(=O)c1ccon1)c1ccc(OC2CCN(C2)c2ccnc(OCC(F)F)c2)cc1 |r|
Show InChI InChI=1S/C23H24F2N4O4/c1-15(27-23(30)20-8-11-32-28-20)16-2-4-18(5-3-16)33-19-7-10-29(13-19)17-6-9-26-22(12-17)31-14-21(24)25/h2-6,8-9,11-12,15,19,21H,7,10,13-14H2,1H3,(H,27,30)/t15-,19?/m0/s1
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n/an/a 263n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138788
PNG
(US8877741, 2.114)
Show SMILES C[C@H](NC(=O)c1cnn(C)c1Cl)c1ccc(OC2CCN(C2)c2ccnc(OCC(F)F)c2)cc1 |r|
Show InChI InChI=1S/C24H26ClF2N5O3/c1-15(30-24(33)20-12-29-31(2)23(20)25)16-3-5-18(6-4-16)35-19-8-10-32(13-19)17-7-9-28-22(11-17)34-14-21(26)27/h3-7,9,11-12,15,19,21H,8,10,13-14H2,1-2H3,(H,30,33)/t15-,19?/m0/s1
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n/an/a 611n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138796
PNG
(US8877741, 2.122)
Show SMILES C[C@H](NC(=O)c1cnco1)c1ccc(OC2CCN(C2)c2cccc(n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C22H21F3N4O3/c1-14(27-21(30)18-11-26-13-31-18)15-5-7-16(8-6-15)32-17-9-10-29(12-17)20-4-2-3-19(28-20)22(23,24)25/h2-8,11,13-14,17H,9-10,12H2,1H3,(H,27,30)/t14-,17?/m0/s1
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n/an/a 85n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138800
PNG
(US8877741, 2.126)
Show SMILES C[C@H](NC(=O)c1cnco1)c1ccc(OC2CCN(C2)c2ccnc(N3CCC(F)(F)C3)c2F)cc1 |r|
Show InChI InChI=1S/C25H26F3N5O3/c1-16(31-24(34)21-12-29-15-35-21)17-2-4-18(5-3-17)36-19-7-10-32(13-19)20-6-9-30-23(22(20)26)33-11-8-25(27,28)14-33/h2-6,9,12,15-16,19H,7-8,10-11,13-14H2,1H3,(H,31,34)/t16-,19?/m0/s1
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n/an/a 45n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138804
PNG
(US8877741, 3.3)
Show SMILES CCNC(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C24H30F2N4O3/c1-3-27-23(31)29-16(2)17-4-6-19(7-5-17)33-21-10-11-30(14-21)22-9-8-20(13-28-22)32-15-18-12-24(18,25)26/h4-9,13,16,18,21H,3,10-12,14-15H2,1-2H3,(H2,27,29,31)/t16-,18?,21?/m0/s1
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n/an/a 150n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138809
PNG
(US8877741, 3.8)
Show SMILES CCN(C)C(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C25H32F2N4O3/c1-4-30(3)24(32)29-17(2)18-5-7-20(8-6-18)34-22-11-12-31(15-22)23-10-9-21(14-28-23)33-16-19-13-25(19,26)27/h5-10,14,17,19,22H,4,11-13,15-16H2,1-3H3,(H,29,32)/t17-,19?,22?/m0/s1
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n/an/a 90n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138814
PNG
(US8877741, 3.13)
Show SMILES C[C@H](NC(=O)N1CCOCC1)c1ccc(OC2CCN(C2)c2ccnc(OCC(F)F)c2)cc1 |r|
Show InChI InChI=1S/C24H30F2N4O4/c1-17(28-24(31)29-10-12-32-13-11-29)18-2-4-20(5-3-18)34-21-7-9-30(15-21)19-6-8-27-23(14-19)33-16-22(25)26/h2-6,8,14,17,21-22H,7,9-13,15-16H2,1H3,(H,28,31)/t17-,21?/m0/s1
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n/an/a 497n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138822
PNG
(US8877741, 3.21)
Show SMILES C[C@H](NC(=O)N1CCCC(C1)NC(C)=O)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C29H37F2N5O4/c1-19(33-28(38)36-12-3-4-23(16-36)34-20(2)37)21-5-7-24(8-6-21)40-26-11-13-35(17-26)27-10-9-25(15-32-27)39-18-22-14-29(22,30)31/h5-10,15,19,22-23,26H,3-4,11-14,16-18H2,1-2H3,(H,33,38)(H,34,37)/t19-,22?,23?,26?/m0/s1
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n/an/a 363n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138823
PNG
(US8877741, 3.22)
Show SMILES C[C@H](NC(=O)N(C)C)c1ccc(OC2CCN(C2)c2ccnc(N3CCC(F)(F)C3)c2F)cc1 |r|
Show InChI InChI=1S/C24H30F3N5O2/c1-16(29-23(33)30(2)3)17-4-6-18(7-5-17)34-19-9-12-31(14-19)20-8-11-28-22(21(20)25)32-13-10-24(26,27)15-32/h4-8,11,16,19H,9-10,12-15H2,1-3H3,(H,29,33)/t16-,19?/m0/s1
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n/an/a 50n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138838
PNG
(US8877741, 5.3)
Show SMILES CCC(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccnc(N3CCC(F)(F)C3)c2F)cc1 |r|
Show InChI InChI=1S/C24H29F3N4O2/c1-3-21(32)29-16(2)17-4-6-18(7-5-17)33-19-9-12-30(14-19)20-8-11-28-23(22(20)25)31-13-10-24(26,27)15-31/h4-8,11,16,19H,3,9-10,12-15H2,1-2H3,(H,29,32)/t16-,19?/m0/s1
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n/an/a 34n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138855
PNG
(US8877741, 8.3)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncc(cc2F)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C20H21F4N3O2/c1-12(26-13(2)28)14-3-5-16(6-4-14)29-17-7-8-27(11-17)19-18(21)9-15(10-25-19)20(22,23)24/h3-6,9-10,12,17H,7-8,11H2,1-2H3,(H,26,28)/t12-,17+/m0/s1
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n/an/a 755n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138863
PNG
(US8877741, 8.11)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(c2)C(=O)Nc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C26H27ClN4O3/c1-17(29-18(2)32)19-3-9-23(10-4-19)34-24-12-14-31(16-24)22-11-13-28-25(15-22)26(33)30-21-7-5-20(27)6-8-21/h3-11,13,15,17,24H,12,14,16H2,1-2H3,(H,29,32)(H,30,33)/t17-,24+/m0/s1
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n/an/a 1.10E+3n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138874
PNG
(US8877741, 9.10)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(O[C@@H]3CCOC3)c2)cc1 |r|
Show InChI InChI=1S/C23H29N3O4/c1-16(25-17(2)27)18-3-5-20(6-4-18)29-21-8-11-26(14-21)19-7-10-24-23(13-19)30-22-9-12-28-15-22/h3-7,10,13,16,21-22H,8-9,11-12,14-15H2,1-2H3,(H,25,27)/t16-,21+,22+/m0/s1
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n/an/a 184n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138910
PNG
(US8877741, 9.46)
Show SMILES CCC(COC)Oc1cc(ccn1)N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C24H33N3O4/c1-5-21(16-29-4)31-24-14-20(10-12-25-24)27-13-11-23(15-27)30-22-8-6-19(7-9-22)17(2)26-18(3)28/h6-10,12,14,17,21,23H,5,11,13,15-16H2,1-4H3,(H,26,28)/t17-,21?,23+/m0/s1
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n/an/a 544n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138915
PNG
(US8877741, 9.51)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OCC3CC3)c2F)cc1 |r|
Show InChI InChI=1S/C23H28FN3O3/c1-15(26-16(2)28)18-5-7-19(8-6-18)30-20-10-12-27(13-20)21-9-11-25-23(22(21)24)29-14-17-3-4-17/h5-9,11,15,17,20H,3-4,10,12-14H2,1-2H3,(H,26,28)/t15-,20+/m0/s1
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n/an/a 42n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138920
PNG
(US8877741, 9.56)
Show SMILES CC(C)COc1cc(N2CC[C@H](C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c(cn1)C#N |r|
Show InChI InChI=1S/C24H30N4O3/c1-16(2)15-30-24-11-23(20(12-25)13-26-24)28-10-9-22(14-28)31-21-7-5-19(6-8-21)17(3)27-18(4)29/h5-8,11,13,16-17,22H,9-10,14-15H2,1-4H3,(H,27,29)/t17-,22+/m0/s1
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n/an/a 900n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138921
PNG
(US8877741, 9.57)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OCC3CC3)c2C)cc1 |r|
Show InChI InChI=1S/C24H31N3O3/c1-16-23(10-12-25-24(16)29-15-19-4-5-19)27-13-11-22(14-27)30-21-8-6-20(7-9-21)17(2)26-18(3)28/h6-10,12,17,19,22H,4-5,11,13-15H2,1-3H3,(H,26,28)/t17-,22+/m0/s1
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n/an/a 55n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%