BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 172 hits Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2 [129-967]'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212757
PNG
(US9278954, 7.1)
Show SMILES CCNC(=O)C(C)c1ccc(O[C@@H]2CCN(C2)c2ccc(OC3CCC3)cc2)cc1
Show InChI InChI=1S/C25H32N2O3/c1-3-26-25(28)18(2)19-7-11-22(12-8-19)30-24-15-16-27(17-24)20-9-13-23(14-10-20)29-21-5-4-6-21/h7-14,18,21,24H,3-6,15-17H2,1-2H3,(H,26,28)/t18?,24-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212754
PNG
(US9278954, 6.8 isomer 1 | US9278954, 6.8 isomer 2 ...)
Show SMILES CCCOc1ccc(cc1)N1CC[C@H](C1)Oc1ccc(cc1)C(C)C(=O)NCC
Show InChI InChI=1S/C24H32N2O3/c1-4-16-28-21-12-8-20(9-13-21)26-15-14-23(17-26)29-22-10-6-19(7-11-22)18(3)24(27)25-5-2/h6-13,18,23H,4-5,14-17H2,1-3H3,(H,25,27)/t18?,23-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 43n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212610
PNG
(US9278954, 1.1 | US9278954, 6.1 isomer 1 | US92789...)
Show SMILES CC(C(=O)NC1CC1)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC(C)(C)O)c2Cl)cc1
Show InChI InChI=1S/C24H31ClN4O4/c1-15(22(30)28-17-6-7-17)16-4-8-18(9-5-16)33-19-10-11-29(12-19)21-20(25)23(27-14-26-21)32-13-24(2,3)31/h4-5,8-9,14-15,17,19,31H,6-7,10-13H2,1-3H3,(H,28,30)/t15?,19-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212611
PNG
(US9278954, 1.2)
Show SMILES CCCNc1nccc(N2CC[C@H](C2)Oc2ccc(cc2)C(C)C(=O)NC2CC2)c1F
Show InChI InChI=1S/C24H31FN4O2/c1-3-12-26-23-22(25)21(10-13-27-23)29-14-11-20(15-29)31-19-8-4-17(5-9-19)16(2)24(30)28-18-6-7-18/h4-5,8-10,13,16,18,20H,3,6-7,11-12,14-15H2,1-2H3,(H,26,27)(H,28,30)/t16?,20-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212759
PNG
(US9278954, 7.2)
Show SMILES CCNC(=O)C(C)c1ccc(O[C@@H]2CCN(C2)c2ccc(OC3CCCC3)cc2)cc1
Show InChI InChI=1S/C26H34N2O3/c1-3-27-26(29)19(2)20-8-12-23(13-9-20)31-25-16-17-28(18-25)21-10-14-24(15-11-21)30-22-6-4-5-7-22/h8-15,19,22,25H,3-7,16-18H2,1-2H3,(H,27,29)/t19?,25-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 72n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212754
PNG
(US9278954, 6.8 isomer 1 | US9278954, 6.8 isomer 2 ...)
Show SMILES CCCOc1ccc(cc1)N1CC[C@H](C1)Oc1ccc(cc1)C(C)C(=O)NCC
Show InChI InChI=1S/C24H32N2O3/c1-4-16-28-21-12-8-20(9-13-21)26-15-14-23(17-26)29-22-10-6-19(7-11-22)18(3)24(27)25-5-2/h6-13,18,23H,4-5,14-17H2,1-3H3,(H,25,27)/t18?,23-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 75n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212615
PNG
(BDBM212741 | US9278954, 1.6 | US9278954, 1.9)
Show SMILES CC(C(=O)NC1CC1C)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C)cc1
Show InChI InChI=1S/C23H30FN5O2/c1-14-11-20(14)26-22(30)15(2)16-5-7-17(8-6-16)31-18-9-10-29(13-18)21-19(24)12-25-23(27-21)28(3)4/h5-8,12,14-15,18,20H,9-11,13H2,1-4H3,(H,26,30)/t14?,15?,18-,20?/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 86n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212703
PNG
(US9278954, 2.1)
Show SMILES CCNC(=O)C(C)c1ccc(O[C@@H]2CCN(C2)c2ccnc(n2)N(CC)CC)cc1
Show InChI InChI=1S/C23H33N5O2/c1-5-24-22(29)17(4)18-8-10-19(11-9-18)30-20-13-15-28(16-20)21-12-14-25-23(26-21)27(6-2)7-3/h8-12,14,17,20H,5-7,13,15-16H2,1-4H3,(H,24,29)/t17?,20-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212626
PNG
(BDBM212745 | US9278954, 1.17)
Show SMILES CCNC(=O)C(C)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC(C)(C)O)c2Cl)cc1
Show InChI InChI=1S/C23H31ClN4O4/c1-5-25-21(29)15(2)16-6-8-17(9-7-16)32-18-10-11-28(12-18)20-19(24)22(27-14-26-20)31-13-23(3,4)30/h6-9,14-15,18,30H,5,10-13H2,1-4H3,(H,25,29)/t15?,18-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212612
PNG
(US9278954, 1.3 | US9278954, 1.4)
Show SMILES CCCNc1nccc(N2CC[C@H](C2)Oc2ccc(cc2)C(C)C(=O)NC2CC2C)c1F
Show InChI InChI=1S/C25H33FN4O2/c1-4-11-27-24-23(26)22(9-12-28-24)30-13-10-20(15-30)32-19-7-5-18(6-8-19)17(3)25(31)29-21-14-16(21)2/h5-9,12,16-17,20-21H,4,10-11,13-15H2,1-3H3,(H,27,28)(H,29,31)/t16?,17?,20-,21?/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 101n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212822
PNG
(US9278954, 8.1)
Show SMILES CCNC(=O)C(C)c1ccc(O[C@@H]2CCN(C2)c2ncc(CC3CCCC3)cc2F)cc1
Show InChI InChI=1S/C26H34FN3O2/c1-3-28-26(31)18(2)21-8-10-22(11-9-21)32-23-12-13-30(17-23)25-24(27)15-20(16-29-25)14-19-6-4-5-7-19/h8-11,15-16,18-19,23H,3-7,12-14,17H2,1-2H3,(H,28,31)/t18?,23-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 104n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212612
PNG
(US9278954, 1.3 | US9278954, 1.4)
Show SMILES CCCNc1nccc(N2CC[C@H](C2)Oc2ccc(cc2)C(C)C(=O)NC2CC2C)c1F
Show InChI InChI=1S/C25H33FN4O2/c1-4-11-27-24-23(26)22(9-12-28-24)30-13-10-20(15-30)32-19-7-5-18(6-8-19)17(3)25(31)29-21-14-16(21)2/h5-9,12,16-17,20-21H,4,10-11,13-15H2,1-3H3,(H,27,28)(H,29,31)/t16?,17?,20-,21?/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 118n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212622
PNG
(BDBM212747 | US9278954, 1.13 | US9278954, 1.26)
Show SMILES CC(C(=O)NC1CC1C)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC(C)(C)O)c2Cl)cc1
Show InChI InChI=1S/C25H33ClN4O4/c1-15-11-20(15)29-23(31)16(2)17-5-7-18(8-6-17)34-19-9-10-30(12-19)22-21(26)24(28-14-27-22)33-13-25(3,4)32/h5-8,14-16,19-20,32H,9-13H2,1-4H3,(H,29,31)/t15?,16?,19-,20?/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 121n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212636
PNG
(BDBM212752 | US9278954, 1.27)
Show SMILES CCNC(=O)C(C)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C)cc1
Show InChI InChI=1S/C21H28FN5O2/c1-5-23-20(28)14(2)15-6-8-16(9-7-15)29-17-10-11-27(13-17)19-18(22)12-24-21(25-19)26(3)4/h6-9,12,14,17H,5,10-11,13H2,1-4H3,(H,23,28)/t14?,17-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 126n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212622
PNG
(BDBM212747 | US9278954, 1.13 | US9278954, 1.26)
Show SMILES CC(C(=O)NC1CC1C)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC(C)(C)O)c2Cl)cc1
Show InChI InChI=1S/C25H33ClN4O4/c1-15-11-20(15)29-23(31)16(2)17-5-7-18(8-6-17)34-19-9-10-30(12-19)22-21(26)24(28-14-27-22)33-13-25(3,4)32/h5-8,14-16,19-20,32H,9-13H2,1-4H3,(H,29,31)/t15?,16?,19-,20?/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 127n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212614
PNG
(US9278954, 1.5)
Show SMILES CC(C(=O)NC1CC1)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC(C)(F)F)c2F)cc1
Show InChI InChI=1S/C23H27F3N4O3/c1-14(21(31)29-16-5-6-16)15-3-7-17(8-4-15)33-18-9-10-30(11-18)20-19(24)22(28-13-27-20)32-12-23(2,25)26/h3-4,7-8,13-14,16,18H,5-6,9-12H2,1-2H3,(H,29,31)/t14?,18-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 133n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212645
PNG
(BDBM212750 | US9278954, 1.36)
Show SMILES CC(C(=O)NCC(F)F)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC(C)(C)O)c2Cl)cc1
Show InChI InChI=1S/C23H29ClF2N4O4/c1-14(21(31)27-10-18(25)26)15-4-6-16(7-5-15)34-17-8-9-30(11-17)20-19(24)22(29-13-28-20)33-12-23(2,3)32/h4-7,13-14,17-18,32H,8-12H2,1-3H3,(H,27,31)/t14?,17-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 135n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212610
PNG
(US9278954, 1.1 | US9278954, 6.1 isomer 1 | US92789...)
Show SMILES CC(C(=O)NC1CC1)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC(C)(C)O)c2Cl)cc1
Show InChI InChI=1S/C24H31ClN4O4/c1-15(22(30)28-17-6-7-17)16-4-8-18(9-5-16)33-19-10-11-29(12-19)21-20(25)23(27-14-26-21)32-13-24(2,3)31/h4-5,8-9,14-15,17,19,31H,6-7,10-13H2,1-3H3,(H,28,30)/t15?,19-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 139n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212615
PNG
(BDBM212741 | US9278954, 1.6 | US9278954, 1.9)
Show SMILES CC(C(=O)NC1CC1C)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C)cc1
Show InChI InChI=1S/C23H30FN5O2/c1-14-11-20(14)26-22(30)15(2)16-5-7-17(8-6-16)31-18-9-10-29(13-18)21-19(24)12-25-23(27-21)28(3)4/h5-8,12,14-15,18,20H,9-11,13H2,1-4H3,(H,26,30)/t14?,15?,18-,20?/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212616
PNG
(US9278954, 1.7)
Show SMILES CC(C(=O)NC1CC1)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C)cc1
Show InChI InChI=1S/C22H28FN5O2/c1-14(21(29)25-16-6-7-16)15-4-8-17(9-5-15)30-18-10-11-28(13-18)20-19(23)12-24-22(26-20)27(2)3/h4-5,8-9,12,14,16,18H,6-7,10-11,13H2,1-3H3,(H,25,29)/t14?,18-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 170n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212615
PNG
(BDBM212741 | US9278954, 1.6 | US9278954, 1.9)
Show SMILES CC(C(=O)NC1CC1C)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C)cc1
Show InChI InChI=1S/C23H30FN5O2/c1-14-11-20(14)26-22(30)15(2)16-5-7-17(8-6-16)31-18-9-10-29(13-18)21-19(24)12-25-23(27-21)28(3)4/h5-8,12,14-15,18,20H,9-11,13H2,1-4H3,(H,26,30)/t14?,15?,18-,20?/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 177n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212704
PNG
(US9278954, 2.2)
Show SMILES CCNC(=O)C(C)c1ccc(O[C@@H]2CCN(C2)c2ccnc(n2)N(C)CC)cc1
Show InChI InChI=1S/C22H31N5O2/c1-5-23-21(28)16(3)17-7-9-18(10-8-17)29-19-12-14-27(15-19)20-11-13-24-22(25-20)26(4)6-2/h7-11,13,16,19H,5-6,12,14-15H2,1-4H3,(H,23,28)/t16?,19-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 179n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212617
PNG
(US9278954, 1.8)
Show SMILES CC(C(=O)NC1CC1)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3(F)F)cn2)cc1
Show InChI InChI=1S/C25H29F2N3O3/c1-16(24(31)29-19-4-5-19)17-2-6-20(7-3-17)33-22-10-11-30(14-22)23-9-8-21(13-28-23)32-15-18-12-25(18,26)27/h2-3,6-9,13,16,18-19,22H,4-5,10-12,14-15H2,1H3,(H,29,31)/t16?,18?,22-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 179n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212705
PNG
(US9278954, 2.3)
Show SMILES CCCN(C)c1nccc(n1)N1CC[C@H](C1)Oc1ccc(cc1)C(C)C(=O)NCC
Show InChI InChI=1S/C23H33N5O2/c1-5-14-27(4)23-25-13-11-21(26-23)28-15-12-20(16-28)30-19-9-7-18(8-10-19)17(3)22(29)24-6-2/h7-11,13,17,20H,5-6,12,14-16H2,1-4H3,(H,24,29)/t17?,20-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 188n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212760
PNG
(US9278954, 7.3)
Show SMILES CCNC(=O)C(C)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3(F)F)cn2)cc1
Show InChI InChI=1S/C24H29F2N3O3/c1-3-27-23(30)16(2)17-4-6-19(7-5-17)32-21-10-11-29(14-21)22-9-8-20(13-28-22)31-15-18-12-24(18,25)26/h4-9,13,16,18,21H,3,10-12,14-15H2,1-2H3,(H,27,30)/t16?,18?,21-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 190n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212615
PNG
(BDBM212741 | US9278954, 1.6 | US9278954, 1.9)
Show SMILES CC(C(=O)NC1CC1C)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C)cc1
Show InChI InChI=1S/C23H30FN5O2/c1-14-11-20(14)26-22(30)15(2)16-5-7-17(8-6-16)31-18-9-10-29(13-18)21-19(24)12-25-23(27-21)28(3)4/h5-8,12,14-15,18,20H,9-11,13H2,1-4H3,(H,26,30)/t14?,15?,18-,20?/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 195n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212619
PNG
(US9278954, 1.10 | US9278954, 1.12)
Show SMILES CC(C(=O)NC1CC1C)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3(F)F)cn2)cc1
Show InChI InChI=1S/C26H31F2N3O3/c1-16-11-23(16)30-25(32)17(2)18-3-5-20(6-4-18)34-22-9-10-31(14-22)24-8-7-21(13-29-24)33-15-19-12-26(19,27)28/h3-8,13,16-17,19,22-23H,9-12,14-15H2,1-2H3,(H,30,32)/t16?,17?,19?,22-,23?/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 205n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212620
PNG
(US9278954, 1.11)
Show SMILES CCCNc1nccc(N2CC[C@H](C2)Oc2ccc(cc2)C(C)C(=O)NCC)c1F
Show InChI InChI=1S/C23H31FN4O2/c1-4-12-26-22-21(24)20(10-13-27-22)28-14-11-19(15-28)30-18-8-6-17(7-9-18)16(3)23(29)25-5-2/h6-10,13,16,19H,4-5,11-12,14-15H2,1-3H3,(H,25,29)(H,26,27)/t16?,19-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 213n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212615
PNG
(BDBM212741 | US9278954, 1.6 | US9278954, 1.9)
Show SMILES CC(C(=O)NC1CC1C)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C)cc1
Show InChI InChI=1S/C23H30FN5O2/c1-14-11-20(14)26-22(30)15(2)16-5-7-17(8-6-16)31-18-9-10-29(13-18)21-19(24)12-25-23(27-21)28(3)4/h5-8,12,14-15,18,20H,9-11,13H2,1-4H3,(H,26,30)/t14?,15?,18-,20?/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 219n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212619
PNG
(US9278954, 1.10 | US9278954, 1.12)
Show SMILES CC(C(=O)NC1CC1C)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3(F)F)cn2)cc1
Show InChI InChI=1S/C26H31F2N3O3/c1-16-11-23(16)30-25(32)17(2)18-3-5-20(6-4-18)34-22-9-10-31(14-22)24-8-7-21(13-29-24)33-15-19-12-26(19,27)28/h3-8,13,16-17,19,22-23H,9-12,14-15H2,1-2H3,(H,30,32)/t16?,17?,19?,22-,23?/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 220n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212762
PNG
(US9278954, 7.4)
Show SMILES CCNC(=O)C(C)c1ccc(O[C@@H]2CCN(C2)c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H25F3N2O2/c1-3-26-21(28)15(2)16-7-9-19(10-8-16)29-20-11-12-27(14-20)18-6-4-5-17(13-18)22(23,24)25/h4-10,13,15,20H,3,11-12,14H2,1-2H3,(H,26,28)/t15?,20-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 224n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212764
PNG
(US9278954, 7.5)
Show SMILES CCCOc1ccc(N2CC[C@H](C2)Oc2ccc(cc2)C(C)C(=O)NCC)c(Cl)c1
Show InChI InChI=1S/C24H31ClN2O3/c1-4-14-29-20-10-11-23(22(25)15-20)27-13-12-21(16-27)30-19-8-6-18(7-9-19)17(3)24(28)26-5-2/h6-11,15,17,21H,4-5,12-14,16H2,1-3H3,(H,26,28)/t17?,21-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 225n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212766
PNG
(US9278954, 7.6)
Show SMILES CCNC(=O)C(C)c1ccc(O[C@@H]2CCN(C2)c2ccc(F)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H24F4N2O2/c1-3-27-21(29)14(2)15-4-7-17(8-5-15)30-18-10-11-28(13-18)16-6-9-20(23)19(12-16)22(24,25)26/h4-9,12,14,18H,3,10-11,13H2,1-2H3,(H,27,29)/t14?,18-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 229n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212622
PNG
(BDBM212747 | US9278954, 1.13 | US9278954, 1.26)
Show SMILES CC(C(=O)NC1CC1C)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC(C)(C)O)c2Cl)cc1
Show InChI InChI=1S/C25H33ClN4O4/c1-15-11-20(15)29-23(31)16(2)17-5-7-18(8-6-17)34-19-9-10-30(12-19)22-21(26)24(28-14-27-22)33-13-25(3,4)32/h5-8,14-16,19-20,32H,9-13H2,1-4H3,(H,29,31)/t15?,16?,19-,20?/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 233n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212713
PNG
(US9278954, 3.1)
Show SMILES CC(C(=O)NC1CC1)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC(C)(C)O)c2F)cc1
Show InChI InChI=1S/C24H31FN4O4/c1-15(22(30)28-17-6-7-17)16-4-8-18(9-5-16)33-19-10-11-29(12-19)21-20(25)23(27-14-26-21)32-13-24(2,3)31/h4-5,8-9,14-15,17,19,31H,6-7,10-13H2,1-3H3,(H,28,30)/t15?,19-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 235n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212623
PNG
(US9278954, 1.14 | US9278954, 1.22)
Show SMILES CC(C(=O)NC1CC1C)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC(C)(F)F)c2F)cc1
Show InChI InChI=1S/C24H29F3N4O3/c1-14-10-19(14)30-22(32)15(2)16-4-6-17(7-5-16)34-18-8-9-31(11-18)21-20(25)23(29-13-28-21)33-12-24(3,26)27/h4-7,13-15,18-19H,8-12H2,1-3H3,(H,30,32)/t14?,15?,18-,19?/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 244n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212715
PNG
(US9278954, 3.2)
Show SMILES CC(C(=O)NC1CC1C)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC(C)(C)O)c2F)cc1
Show InChI InChI=1S/C25H33FN4O4/c1-15-11-20(15)29-23(31)16(2)17-5-7-18(8-6-17)34-19-9-10-30(12-19)22-21(26)24(28-14-27-22)33-13-25(3,4)32/h5-8,14-16,19-20,32H,9-13H2,1-4H3,(H,29,31)/t15?,16?,19-,20?/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 259n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212624
PNG
(US9278954, 1.15)
Show SMILES CC(C(=O)NCC(F)F)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3(F)F)cn2)cc1
Show InChI InChI=1S/C24H27F4N3O3/c1-15(23(32)30-12-21(25)26)16-2-4-18(5-3-16)34-20-8-9-31(13-20)22-7-6-19(11-29-22)33-14-17-10-24(17,27)28/h2-7,11,15,17,20-21H,8-10,12-14H2,1H3,(H,30,32)/t15?,17?,20-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212768
PNG
(US9278954, 7.7)
Show SMILES CCCCOc1cc(ccn1)N1CC[C@H](C1)Oc1ccc(cc1)C(C)C(=O)NCC
Show InChI InChI=1S/C24H33N3O3/c1-4-6-15-29-23-16-20(11-13-26-23)27-14-12-22(17-27)30-21-9-7-19(8-10-21)18(3)24(28)25-5-2/h7-11,13,16,18,22H,4-6,12,14-15,17H2,1-3H3,(H,25,28)/t18?,22-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212625
PNG
(US9278954, 1.16)
Show SMILES CCCNc1nccc(N2CC[C@H](C2)Oc2ccc(cc2)C(C)C(=O)NCC#C)c1F
Show InChI InChI=1S/C24H29FN4O2/c1-4-12-26-23-22(25)21(10-14-27-23)29-15-11-20(16-29)31-19-8-6-18(7-9-19)17(3)24(30)28-13-5-2/h2,6-10,14,17,20H,4,11-13,15-16H2,1,3H3,(H,26,27)(H,28,30)/t17?,20-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 266n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212626
PNG
(BDBM212745 | US9278954, 1.17)
Show SMILES CCNC(=O)C(C)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC(C)(C)O)c2Cl)cc1
Show InChI InChI=1S/C23H31ClN4O4/c1-5-25-21(29)15(2)16-6-8-17(9-7-16)32-18-10-11-28(12-18)20-19(24)22(27-14-26-20)31-13-23(3,4)30/h6-9,14-15,18,30H,5,10-13H2,1-4H3,(H,25,29)/t15?,18-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 272n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212770
PNG
(US9278954, 7.8)
Show SMILES CCNC(=O)C(C)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1
Show InChI InChI=1S/C25H32N2O3/c1-3-26-25(28)18(2)20-6-10-23(11-7-20)30-24-14-15-27(16-24)21-8-12-22(13-9-21)29-17-19-4-5-19/h6-13,18-19,24H,3-5,14-17H2,1-2H3,(H,26,28)/t18?,24-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 274n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212717
PNG
(US9278954, 3.3)
Show SMILES CCCNc1ncnc(N2CC[C@H](C2)Oc2ccc(cc2)C(C)C(=O)NC2CC2)c1F
Show InChI InChI=1S/C23H30FN5O2/c1-3-11-25-21-20(24)22(27-14-26-21)29-12-10-19(13-29)31-18-8-4-16(5-9-18)15(2)23(30)28-17-6-7-17/h4-5,8-9,14-15,17,19H,3,6-7,10-13H2,1-2H3,(H,28,30)(H,25,26,27)/t15?,19-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 280n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212627
PNG
(US9278954, 1.18)
Show SMILES CCCNc1nccc(N2CC[C@H](C2)Oc2ccc(cc2)C(C)C(=O)NCC(C)=C)c1F
Show InChI InChI=1S/C25H33FN4O2/c1-5-12-27-24-23(26)22(10-13-28-24)30-14-11-21(16-30)32-20-8-6-19(7-9-20)18(4)25(31)29-15-17(2)3/h6-10,13,18,21H,2,5,11-12,14-16H2,1,3-4H3,(H,27,28)(H,29,31)/t18?,21-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 286n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212734
PNG
(US9278954, 4.1)
Show SMILES CCNC(=O)C(C)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC)cc2)cc1
Show InChI InChI=1S/C23H30N2O3/c1-4-24-23(26)17(3)18-6-10-21(11-7-18)28-22-14-15-25(16-22)19-8-12-20(13-9-19)27-5-2/h6-13,17,22H,4-5,14-16H2,1-3H3,(H,24,26)/t17?,22-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 288n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212628
PNG
(US9278954, 1.19)
Show SMILES CCCNc1nccc(N2CC[C@H](C2)Oc2ccc(cc2)C(C)C(=O)NCCF)c1F
Show InChI InChI=1S/C23H30F2N4O2/c1-3-11-26-22-21(25)20(8-12-27-22)29-14-9-19(15-29)31-18-6-4-17(5-7-18)16(2)23(30)28-13-10-24/h4-8,12,16,19H,3,9-11,13-15H2,1-2H3,(H,26,27)(H,28,30)/t16?,19-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 296n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212719
PNG
(US9278954, 3.4)
Show SMILES CC(C(=O)Nc1cccc(F)c1)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C)cc1
Show InChI InChI=1S/C25H27F2N5O2/c1-16(24(33)29-19-6-4-5-18(26)13-19)17-7-9-20(10-8-17)34-21-11-12-32(15-21)23-22(27)14-28-25(30-23)31(2)3/h4-10,13-14,16,21H,11-12,15H2,1-3H3,(H,29,33)/t16?,21-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212629
PNG
(US9278954, 1.20)
Show SMILES CC(C(=O)NCC#C)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC(C)(C)O)c2Cl)cc1
Show InChI InChI=1S/C24H29ClN4O4/c1-5-11-26-22(30)16(2)17-6-8-18(9-7-17)33-19-10-12-29(13-19)21-20(25)23(28-15-27-21)32-14-24(3,4)31/h1,6-9,15-16,19,31H,10-14H2,2-4H3,(H,26,30)/t16?,19-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 306n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212630
PNG
(US9278954, 1.21)
Show SMILES CCCNc1nccc(N2CC[C@H](C2)Oc2ccc(cc2)C(C)C(=O)NCC(F)F)c1F
Show InChI InChI=1S/C23H29F3N4O2/c1-3-10-27-22-21(26)19(8-11-28-22)30-12-9-18(14-30)32-17-6-4-16(5-7-17)15(2)23(31)29-13-20(24)25/h4-8,11,15,18,20H,3,9-10,12-14H2,1-2H3,(H,27,28)(H,29,31)/t15?,18-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 309n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 [129-967]


(Homo sapiens (Human))
BDBM212623
PNG
(US9278954, 1.14 | US9278954, 1.22)
Show SMILES CC(C(=O)NC1CC1C)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC(C)(F)F)c2F)cc1
Show InChI InChI=1S/C24H29F3N4O3/c1-14-10-19(14)30-22(32)15(2)16-4-6-17(7-5-16)34-18-8-9-31(11-18)21-20(25)23(29-13-28-21)33-12-24(3,26)27/h4-7,13-15,18-19H,8-12H2,1-3H3,(H,30,32)/t14?,15?,18-,19?/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 311n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 172 total )  |  Next  |  Last  >>
Jump to: