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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))
BDBM138989
PNG
(US8877741, 10.36)
Show SMILES CC(C)CN(C)c1cccc(n1)N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C24H34N4O2/c1-17(2)15-27(5)23-7-6-8-24(26-23)28-14-13-22(16-28)30-21-11-9-20(10-12-21)18(3)25-19(4)29/h6-12,17-18,22H,13-16H2,1-5H3,(H,25,29)/t18-,22+/m0/s1
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US Patent
n/an/a 399n/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))
BDBM138992
PNG
(US8877741, 10.39)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2cccc(n2)N(C)C2CCOCC2)cc1 |r|
Show InChI InChI=1S/C25H34N4O3/c1-18(26-19(2)30)20-7-9-22(10-8-20)32-23-11-14-29(17-23)25-6-4-5-24(27-25)28(3)21-12-15-31-16-13-21/h4-10,18,21,23H,11-17H2,1-3H3,(H,26,30)/t18-,23+/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))
BDBM139002
PNG
(US8877741, 10.49)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2cccc(n2)N2CCOCC2C)cc1 |r|
Show InChI InChI=1S/C24H32N4O3/c1-17-16-30-14-13-28(17)24-6-4-5-23(26-24)27-12-11-22(15-27)31-21-9-7-20(8-10-21)18(2)25-19(3)29/h4-10,17-18,22H,11-16H2,1-3H3,(H,25,29)/t17?,18-,22+/m0/s1
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n/an/a 785n/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))
BDBM139003
PNG
(US8877741, 10.50)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(NCC3(O)CCC3)c2F)cc1 |r|
Show InChI InChI=1S/C24H31FN4O3/c1-16(28-17(2)30)18-4-6-19(7-5-18)32-20-9-13-29(14-20)21-8-12-26-23(22(21)25)27-15-24(31)10-3-11-24/h4-8,12,16,20,31H,3,9-11,13-15H2,1-2H3,(H,26,27)(H,28,30)/t16-,20+/m0/s1
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n/an/a 53n/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))
BDBM139009
PNG
(US8877741, 11.1 | US8877741, 859)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C21H25F2N3O3/c1-14(25-15(2)27)16-3-5-17(6-4-16)29-19-9-10-26(12-19)21-8-7-18(11-24-21)28-13-20(22)23/h3-8,11,14,19-20H,9-10,12-13H2,1-2H3,(H,25,27)/t14-,19+/m0/s1
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n/an/a 510n/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))
BDBM139013
PNG
(US8877741, 12)
Show SMILES C[C@H](NC=O)c1ccc(O[C@@H]2CCN(C2)c2cccc(n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C19H20F3N3O2/c1-13(23-12-26)14-5-7-15(8-6-14)27-16-9-10-25(11-16)18-4-2-3-17(24-18)19(20,21)22/h2-8,12-13,16H,9-11H2,1H3,(H,23,26)/t13-,16+/m0/s1
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n/an/a 888n/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))
BDBM138527
PNG
(US8877741, 1.5)
Show SMILES CCOc1ccc(cn1)N1CCC(C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C21H27N3O3/c1-4-26-21-10-7-18(13-22-21)24-12-11-20(14-24)27-19-8-5-17(6-9-19)15(2)23-16(3)25/h5-10,13,15,20H,4,11-12,14H2,1-3H3,(H,23,25)/t15-,20?/m0/s1
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n/an/a 510n/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))
BDBM138536
PNG
(US8877741, 1.14)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3)nc2)cc1 |r|
Show InChI InChI=1S/C23H29N3O3/c1-16(25-17(2)27)19-5-8-21(9-6-19)29-22-11-12-26(14-22)20-7-10-23(24-13-20)28-15-18-3-4-18/h5-10,13,16,18,22H,3-4,11-12,14-15H2,1-2H3,(H,25,27)/t16-,22?/m0/s1
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n/an/a 394n/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))
BDBM138547
PNG
(US8877741, 1.25)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2cc(OCC3CC3)ncc2C)cc1 |r|
Show InChI InChI=1S/C24H31N3O3/c1-16-13-25-24(29-15-19-4-5-19)12-23(16)27-11-10-22(14-27)30-21-8-6-20(7-9-21)17(2)26-18(3)28/h6-9,12-13,17,19,22H,4-5,10-11,14-15H2,1-3H3,(H,26,28)/t17-,22?/m0/s1
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US Patent
n/an/a 228n/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))
BDBM138560
PNG
(US8877741, 1.38)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2cccc(n2)C2CC2)cc1 |r|
Show InChI InChI=1S/C22H27N3O2/c1-15(23-16(2)26)17-8-10-19(11-9-17)27-20-12-13-25(14-20)22-5-3-4-21(24-22)18-6-7-18/h3-5,8-11,15,18,20H,6-7,12-14H2,1-2H3,(H,23,26)/t15-,20?/m0/s1
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n/an/a 95n/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))
BDBM138566
PNG
(US8877741, 1.44)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2nc(C)ccc2F)cc1 |r|
Show InChI InChI=1S/C20H24FN3O2/c1-13-4-9-19(21)20(22-13)24-11-10-18(12-24)26-17-7-5-16(6-8-17)14(2)23-15(3)25/h4-9,14,18H,10-12H2,1-3H3,(H,23,25)/t14-,18?/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))
BDBM138574
PNG
(US8877741, 1.52)
Show SMILES CCOc1cnc(N2CCC(C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c(C)c1 |r|
Show InChI InChI=1S/C22H29N3O3/c1-5-27-21-12-15(2)22(23-13-21)25-11-10-20(14-25)28-19-8-6-18(7-9-19)16(3)24-17(4)26/h6-9,12-13,16,20H,5,10-11,14H2,1-4H3,(H,24,26)/t16-,20?/m0/s1
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n/an/a 474n/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))
BDBM138585
PNG
(US8877741, 1.63)
Show SMILES CC(C)c1cccc(n1)N1CCC(C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C22H29N3O2/c1-15(2)21-6-5-7-22(24-21)25-13-12-20(14-25)27-19-10-8-18(9-11-19)16(3)23-17(4)26/h5-11,15-16,20H,12-14H2,1-4H3,(H,23,26)/t16-,20?/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
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138589
PNG
(US8877741, 1.67)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ncc(OC3CC3)cc2F)cc1 |r|
Show InChI InChI=1S/C22H26FN3O3/c1-14(25-15(2)27)16-3-5-17(6-4-16)28-19-9-10-26(13-19)22-21(23)11-20(12-24-22)29-18-7-8-18/h3-6,11-12,14,18-19H,7-10,13H2,1-2H3,(H,25,27)/t14-,19?/m0/s1
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n/an/a 463n/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))
BDBM138591
PNG
(US8877741, 1.69)
Show SMILES CSc1ccc(nc1)N1CCC(C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C20H25N3O2S/c1-14(22-15(2)24)16-4-6-17(7-5-16)25-18-10-11-23(13-18)20-9-8-19(26-3)12-21-20/h4-9,12,14,18H,10-11,13H2,1-3H3,(H,22,24)/t14-,18?/m0/s1
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n/an/a 387n/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))
BDBM138607
PNG
(US8877741, 1.85)
Show SMILES C[C@H](NC(=O)c1cncs1)c1ccc(O[C@@H]2CCN(C2)c2cccc(C)n2)cc1 |r|
Show InChI InChI=1S/C22H24N4O2S/c1-15-4-3-5-21(24-15)26-11-10-19(13-26)28-18-8-6-17(7-9-18)16(2)25-22(27)20-12-23-14-29-20/h3-9,12,14,16,19H,10-11,13H2,1-2H3,(H,25,27)/t16-,19+/m0/s1
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n/an/a 107n/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))
BDBM138617
PNG
(US8877741, 1.95)
Show SMILES CCOc1nccc(N2CC[C@H](C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c1OC |r|
Show InChI InChI=1S/C22H29N3O4/c1-5-28-22-21(27-4)20(10-12-23-22)25-13-11-19(14-25)29-18-8-6-17(7-9-18)15(2)24-16(3)26/h6-10,12,15,19H,5,11,13-14H2,1-4H3,(H,24,26)/t15-,19+/m0/s1
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n/an/a 82n/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))
BDBM138622
PNG
(US8877741, 1.100)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nccc(N(C)CC3CC3)c2F)cc1 |r|
Show InChI InChI=1S/C24H31FN4O2/c1-16(27-17(2)30)19-6-8-20(9-7-19)31-21-11-13-29(15-21)24-23(25)22(10-12-26-24)28(3)14-18-4-5-18/h6-10,12,16,18,21H,4-5,11,13-15H2,1-3H3,(H,27,30)/t16-,21+/m0/s1
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n/an/a 385n/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))
BDBM138624
PNG
(US8877741, 1.102)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(N3CCCCC3)c2F)cc1 |r|
Show InChI InChI=1S/C24H31FN4O2/c1-17(27-18(2)30)19-6-8-20(9-7-19)31-21-11-15-29(16-21)22-10-12-26-24(23(22)25)28-13-4-3-5-14-28/h6-10,12,17,21H,3-5,11,13-16H2,1-2H3,(H,27,30)/t17-,21+/m0/s1
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n/an/a 61n/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))
BDBM138630
PNG
(US8877741, 1.108)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(N(C)CC(F)F)c2F)cc1 |r|
Show InChI InChI=1S/C22H27F3N4O2/c1-14(27-15(2)30)16-4-6-17(7-5-16)31-18-9-11-29(12-18)19-8-10-26-22(21(19)25)28(3)13-20(23)24/h4-8,10,14,18,20H,9,11-13H2,1-3H3,(H,27,30)/t14-,18+/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))
BDBM138631
PNG
(US8877741, 1.109)
Show SMILES COC1CN(C1)c1nccc(N2CC[C@H](C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c1F |r|
Show InChI InChI=1S/C23H29FN4O3/c1-15(26-16(2)29)17-4-6-18(7-5-17)31-19-9-11-27(12-19)21-8-10-25-23(22(21)24)28-13-20(14-28)30-3/h4-8,10,15,19-20H,9,11-14H2,1-3H3,(H,26,29)/t15-,19+/m0/s1
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n/an/a 155n/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))
BDBM138646
PNG
(US8877741, 1.124)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(N3CCC(F)(F)C3)c2C)cc1 |r|
Show InChI InChI=1S/C24H30F2N4O2/c1-16-22(8-11-27-23(16)30-13-10-24(25,26)15-30)29-12-9-21(14-29)32-20-6-4-19(5-7-20)17(2)28-18(3)31/h4-8,11,17,21H,9-10,12-15H2,1-3H3,(H,28,31)/t17-,21+/m0/s1
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n/an/a 76n/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))
BDBM138661
PNG
(US8877741, 1.139)
Show SMILES COc1c(OCCC2CC2)nccc1N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C25H33N3O4/c1-17(27-18(2)29)20-6-8-21(9-7-20)32-22-11-14-28(16-22)23-10-13-26-25(24(23)30-3)31-15-12-19-4-5-19/h6-10,13,17,19,22H,4-5,11-12,14-16H2,1-3H3,(H,27,29)/t17-,22+/m0/s1
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n/an/a 37n/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))
BDBM138664
PNG
(US8877741, 1.142)
Show SMILES CCC(=O)Nc1nc(C)c(s1)C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(C2)c2ccnc(NCC3CC3)c2F)cc1 |r|
Show InChI InChI=1S/C29H35FN6O3S/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 67n/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))
BDBM138683
PNG
(US8877741, 2.9)
Show SMILES CC(C)Oc1cc(ccn1)N1CCC(C1)Oc1ccc(cc1)[C@H](C)NC(=O)c1ccncc1 |r|
Show InChI InChI=1S/C26H30N4O3/c1-18(2)32-25-16-22(10-14-28-25)30-15-11-24(17-30)33-23-6-4-20(5-7-23)19(3)29-26(31)21-8-12-27-13-9-21/h4-10,12-14,16,18-19,24H,11,15,17H2,1-3H3,(H,29,31)/t19-,24?/m0/s1
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n/an/a 873n/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))
BDBM138684
PNG
(US8877741, 2.10)
Show SMILES CC(C)Oc1cc(ccn1)N1CCC(C1)Oc1ccc(cc1)[C@H](C)NC(=O)c1ccno1 |r|
Show InChI InChI=1S/C24H28N4O4/c1-16(2)30-23-14-19(8-11-25-23)28-13-10-21(15-28)31-20-6-4-18(5-7-20)17(3)27-24(29)22-9-12-26-32-22/h4-9,11-12,14,16-17,21H,10,13,15H2,1-3H3,(H,27,29)/t17-,21?/m0/s1
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n/an/a 670n/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))
BDBM138685
PNG
(US8877741, 2.11)
Show SMILES CC(C)Oc1cc(ccn1)N1CCC(C1)Oc1ccc(cc1)[C@H](C)NC(=O)CC(F)(F)F |r|
Show InChI InChI=1S/C23H28F3N3O3/c1-15(2)31-22-12-18(8-10-27-22)29-11-9-20(14-29)32-19-6-4-17(5-7-19)16(3)28-21(30)13-23(24,25)26/h4-8,10,12,15-16,20H,9,11,13-14H2,1-3H3,(H,28,30)/t16-,20?/m0/s1
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n/an/a 1.00E+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))
BDBM138694
PNG
(US8877741, 2.20)
Show SMILES CC(C)Oc1cc(ccn1)N1CCC(C1)Oc1ccc(cc1)[C@H](C)NC(=O)c1ccoc1 |r|
Show InChI InChI=1S/C25H29N3O4/c1-17(2)31-24-14-21(8-11-26-24)28-12-9-23(15-28)32-22-6-4-19(5-7-22)18(3)27-25(29)20-10-13-30-16-20/h4-8,10-11,13-14,16-18,23H,9,12,15H2,1-3H3,(H,27,29)/t18-,23?/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))
BDBM138710
PNG
(US8877741, 2.36)
Show SMILES C[C@H](NC(=O)c1cnn(C)c1)c1ccc(OC2CCN(C2)c2cccc(n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C23H24F3N5O2/c1-15(28-22(32)17-12-27-30(2)13-17)16-6-8-18(9-7-16)33-19-10-11-31(14-19)21-5-3-4-20(29-21)23(24,25)26/h3-9,12-13,15,19H,10-11,14H2,1-2H3,(H,28,32)/t15-,19?/m0/s1
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n/an/a 130n/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))
BDBM138712
PNG
(US8877741, 2.38)
Show SMILES CC(C)C(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2cccc(n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C22H26F3N3O2/c1-14(2)21(29)26-15(3)16-7-9-17(10-8-16)30-18-11-12-28(13-18)20-6-4-5-19(27-20)22(23,24)25/h4-10,14-15,18H,11-13H2,1-3H3,(H,26,29)/t15-,18?/m0/s1
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n/an/a 869n/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))
BDBM138717
PNG
(US8877741, 2.43)
Show SMILES C[C@H](NC(=O)c1conc1C)c1ccc(OC2CCN(C2)c2cccc(n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C23H23F3N4O3/c1-14(27-22(31)19-13-32-29-15(19)2)16-6-8-17(9-7-16)33-18-10-11-30(12-18)21-5-3-4-20(28-21)23(24,25)26/h3-9,13-14,18H,10-12H2,1-2H3,(H,27,31)/t14-,18?/m0/s1
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n/an/a 57n/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))
BDBM138723
PNG
(US8877741, 2.49)
Show SMILES C[C@H](NC(=O)C1CC1)c1ccc(OC2CCN(C2)c2cccc(n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C22H24F3N3O2/c1-14(26-21(29)16-5-6-16)15-7-9-17(10-8-15)30-18-11-12-28(13-18)20-4-2-3-19(27-20)22(23,24)25/h2-4,7-10,14,16,18H,5-6,11-13H2,1H3,(H,26,29)/t14-,18?/m0/s1
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n/an/a 560n/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))
BDBM138745
PNG
(US8877741, 2.71)
Show SMILES C[C@H](NC(=O)CC#N)c1ccc(OC2CCN(C2)c2ccnc(OCC3CC3)c2)cc1 |r|
Show InChI InChI=1S/C24H28N4O3/c1-17(27-23(29)8-11-25)19-4-6-21(7-5-19)31-22-10-13-28(15-22)20-9-12-26-24(14-20)30-16-18-2-3-18/h4-7,9,12,14,17-18,22H,2-3,8,10,13,15-16H2,1H3,(H,27,29)/t17-,22?/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))
BDBM138746
PNG
(US8877741, 2.72)
Show SMILES C[C@H](NC(=O)CO)c1ccc(OC2CCN(C2)c2ccnc(OCC3CC3)c2)cc1 |r|
Show InChI InChI=1S/C23H29N3O4/c1-16(25-22(28)14-27)18-4-6-20(7-5-18)30-21-9-11-26(13-21)19-8-10-24-23(12-19)29-15-17-2-3-17/h4-8,10,12,16-17,21,27H,2-3,9,11,13-15H2,1H3,(H,25,28)/t16-,21?/m0/s1
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n/an/a 130n/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))
BDBM138747
PNG
(US8877741, 2.73)
Show SMILES C[C@H](NC(=O)C1(C)CC1)c1ccc(OC2CCN(C2)c2ccnc(OCC3CC3)c2)cc1 |r|
Show InChI InChI=1S/C26H33N3O3/c1-18(28-25(30)26(2)11-12-26)20-5-7-22(8-6-20)32-23-10-14-29(16-23)21-9-13-27-24(15-21)31-17-19-3-4-19/h5-9,13,15,18-19,23H,3-4,10-12,14,16-17H2,1-2H3,(H,28,30)/t18-,23?/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))
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))
BDBM138765
PNG
(US8877741, 2.91)
Show SMILES CCC(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccc(OC[C@H]3CC3(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C24H29F2N3O3/c1-3-23(30)28-16(2)17-4-6-19(7-5-17)32-21-10-11-29(14-21)22-9-8-20(13-27-22)31-15-18-12-24(18,25)26/h4-9,13,16,18,21H,3,10-12,14-15H2,1-2H3,(H,28,30)/t16-,18+,21?/m0/s1
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n/an/a 67n/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))
BDBM138770
PNG
(US8877741, 2.96)
Show SMILES COCC(=O)Nc1nc(C)c(s1)C(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccnc(OCC(F)F)c2)cc1 |r|
Show InChI InChI=1S/C27H31F2N5O5S/c1-16(31-26(36)25-17(2)32-27(40-25)33-23(35)15-37-3)18-4-6-20(7-5-18)39-21-9-11-34(13-21)19-8-10-30-24(12-19)38-14-22(28)29/h4-8,10,12,16,21-22H,9,11,13-15H2,1-3H3,(H,31,36)(H,32,33,35)/t16-,21?/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
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM138776
PNG
(US8877741, 2.102)
Show SMILES C[C@H](NC(=O)c1cnn(C)c1)c1ccc(OC2CCN(C2)c2ccnc(OCC(F)F)c2)cc1 |r|
Show InChI InChI=1S/C24H27F2N5O3/c1-16(29-24(32)18-12-28-30(2)13-18)17-3-5-20(6-4-17)34-21-8-10-31(14-21)19-7-9-27-23(11-19)33-15-22(25)26/h3-7,9,11-13,16,21-22H,8,10,14-15H2,1-2H3,(H,29,32)/t16-,21?/m0/s1
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n/an/a 136n/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))
BDBM138780
PNG
(US8877741, 2.106)
Show SMILES CCC(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccnc(OCC(F)F)c2)cc1 |r|
Show InChI InChI=1S/C22H27F2N3O3/c1-3-21(28)26-15(2)16-4-6-18(7-5-16)30-19-9-11-27(13-19)17-8-10-25-22(12-17)29-14-20(23)24/h4-8,10,12,15,19-20H,3,9,11,13-14H2,1-2H3,(H,26,28)/t15-,19?/m0/s1
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n/an/a 88n/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))
BDBM138797
PNG
(US8877741, 2.123)
Show SMILES C[C@H](NC(=O)c1sc(NC(C)=O)nc1C)c1ccc(OC2CCN(C2)c2ccnc(N3CCC(F)(F)C3)c2F)cc1 |r|
Show InChI InChI=1S/C28H31F3N6O3S/c1-16(33-26(39)24-17(2)34-27(41-24)35-18(3)38)19-4-6-20(7-5-19)40-21-9-12-36(14-21)22-8-11-32-25(23(22)29)37-13-10-28(30,31)15-37/h4-8,11,16,21H,9-10,12-15H2,1-3H3,(H,33,39)(H,34,35,38)/t16-,21?/m0/s1
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n/an/a 58n/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))
BDBM138801
PNG
(US8877741, 3.1 | US8877741, 651)
Show SMILES C[C@H](NC(=O)Nc1ccon1)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C25H27F2N5O4/c1-16(29-24(33)30-22-9-11-35-31-22)17-2-4-19(5-3-17)36-21-8-10-32(14-21)23-7-6-20(13-28-23)34-15-18-12-25(18,26)27/h2-7,9,11,13,16,18,21H,8,10,12,14-15H2,1H3,(H2,29,30,31,33)/t16-,18?,21?/m0/s1
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n/an/a 81n/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))
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))
BDBM138829
PNG
(US8877741, 4.4)
Show SMILES COC(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccnc(OCC3CC3)c2)cc1 |r|
Show InChI InChI=1S/C23H29N3O4/c1-16(25-23(27)28-2)18-5-7-20(8-6-18)30-21-10-12-26(14-21)19-9-11-24-22(13-19)29-15-17-3-4-17/h5-9,11,13,16-17,21H,3-4,10,12,14-15H2,1-2H3,(H,25,27)/t16-,21?/m0/s1
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n/an/a 70n/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))
BDBM138833
PNG
(US8877741, 4.8)
Show SMILES CCCNc1nccc(N2CCC(C2)Oc2ccc(cc2)[C@H](C)NC(=O)OC)c1F |r|
Show InChI InChI=1S/C22H29FN4O3/c1-4-11-24-21-20(23)19(9-12-25-21)27-13-10-18(14-27)30-17-7-5-16(6-8-17)15(2)26-22(28)29-3/h5-9,12,15,18H,4,10-11,13-14H2,1-3H3,(H,24,25)(H,26,28)/t15-,18?/m0/s1
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n/an/a 77n/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))
BDBM138835
PNG
(US8877741, 5.1 | US8877741, 685)
Show SMILES C[C@H](NC(=O)C(C)(C)C)c1ccc(OC2CCN(C2)c2cccc(n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C23H28F3N3O2/c1-15(27-21(30)22(2,3)4)16-8-10-17(11-9-16)31-18-12-13-29(14-18)20-7-5-6-19(28-20)23(24,25)26/h5-11,15,18H,12-14H2,1-4H3,(H,27,30)/t15-,18?/m0/s1
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n/an/a 649n/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
Displayed 1 to 50 (of 485 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%