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Patent code US8835472

Compile Data Set for Download or QSAR

Found 664 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131373
PNG
(US8835472, 9.40)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(OCC2CC2(F)F)cc1)NC(C)=O
Show InChI InChI=1S/C23H23F2NO2/c1-16(26-17(2)27)13-20-7-5-18(6-8-20)3-4-19-9-11-22(12-10-19)28-15-21-14-23(21,24)25/h5-12,16,21H,13-15H2,1-2H3,(H,26,27)
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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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131354
PNG
(US8835472, 9.21)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(OCCC2CC2)cc1)NC(C)=O
Show InChI InChI=1S/C24H27NO2/c1-18(25-19(2)26)17-23-9-7-20(8-10-23)3-4-21-11-13-24(14-12-21)27-16-15-22-5-6-22/h7-14,18,22H,5-6,15-17H2,1-2H3,(H,25,26)
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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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131674
PNG
(US8835472, 24.1)
Show SMILES CCCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C22H25NO2/c1-4-15-25-22-13-11-20(12-14-22)6-5-19-7-9-21(10-8-19)16-17(2)23-18(3)24/h7-14,17H,4,15-16H2,1-3H3,(H,23,24)
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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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131122
PNG
(US8835472, 2.55)
Show SMILES CC(NC(C)=O)c1ccc(cc1)C#Cc1ccc(OC2CC2)cc1
Show InChI InChI=1S/C21H21NO2/c1-15(22-16(2)23)19-9-5-17(6-10-19)3-4-18-7-11-20(12-8-18)24-21-13-14-21/h5-12,15,21H,13-14H2,1-2H3,(H,22,23)
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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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131598
PNG
(US8835472, 14.7)
Show SMILES C[C@H](NC(C)=O)c1ccc(cc1)C#Cc1ccc(OC2CCC2)cc1 |r|
Show InChI InChI=1S/C22H23NO2/c1-16(23-17(2)24)20-12-8-18(9-13-20)6-7-19-10-14-22(15-11-19)25-21-4-3-5-21/h8-16,21H,3-5H2,1-2H3,(H,23,24)/t16-/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131261
PNG
(US8835472, 4.69)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)c2cn[nH]c2)cc1
Show InChI InChI=1S/C23H23N3O2/c1-3-28-22-12-10-19(11-13-22)5-4-18-6-8-20(9-7-18)14-17(2)26-23(27)21-15-24-25-16-21/h6-13,15-17H,3,14H2,1-2H3,(H,24,25)(H,26,27)
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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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131456
PNG
(US8835472, 12.29)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cnc(OC2CCC2)nc1)NC(=O)N(C)C
Show InChI InChI=1S/C22H26N4O2/c1-16(25-22(27)26(2)3)13-18-10-7-17(8-11-18)9-12-19-14-23-21(24-15-19)28-20-5-4-6-20/h7-8,10-11,14-16,20H,4-6,13H2,1-3H3,(H,25,27)
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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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131697
PNG
(US8835472, 35.1)
Show SMILES CCCOc1ccc(cc1)C#Cc1ccc(CC(C)(C)NC(C)=O)cc1
Show InChI InChI=1S/C23H27NO2/c1-5-16-26-22-14-12-20(13-15-22)7-6-19-8-10-21(11-9-19)17-23(3,4)24-18(2)25/h8-15H,5,16-17H2,1-4H3,(H,24,25)
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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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131259
PNG
(US8835472, 4.67)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)c2cncs2)cc1
Show InChI InChI=1S/C23H22N2O2S/c1-3-27-21-12-10-19(11-13-21)5-4-18-6-8-20(9-7-18)14-17(2)25-23(26)22-15-24-16-28-22/h6-13,15-17H,3,14H2,1-2H3,(H,25,26)
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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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131690
PNG
(US8835472, 32.3)
Show SMILES CC(CNC(C)=O)c1ccc(cc1)C#Cc1cnc(OC2CCC2)nc1
Show InChI InChI=1S/C21H23N3O2/c1-15(12-22-16(2)25)19-10-8-17(9-11-19)6-7-18-13-23-21(24-14-18)26-20-4-3-5-20/h8-11,13-15,20H,3-5,12H2,1-2H3,(H,22,25)
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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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131688
PNG
(US8835472, 32.1)
Show SMILES CCCOc1ccc(cc1)C#Cc1ccc(cc1)C(C)CNC(C)=O
Show InChI InChI=1S/C22H25NO2/c1-4-15-25-22-13-9-20(10-14-22)6-5-19-7-11-21(12-8-19)17(2)16-23-18(3)24/h7-14,17H,4,15-16H2,1-3H3,(H,23,24)
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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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131664
PNG
(US8835472, 23.6)
Show SMILES CCCOc1ccc(cc1)C#Cc1ccc(C[C@H](C)NC(C)=O)cc1 |r|
Show InChI InChI=1S/C22H25NO2/c1-4-15-25-22-13-11-20(12-14-22)6-5-19-7-9-21(10-8-19)16-17(2)23-18(3)24/h7-14,17H,4,15-16H2,1-3H3,(H,23,24)/t17-/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131675
PNG
(US8835472, 24.2)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(C[C@H](C)NC(C)=O)cc1 |r|
Show InChI InChI=1S/C21H23NO2/c1-4-24-21-13-11-19(12-14-21)6-5-18-7-9-20(10-8-18)15-16(2)22-17(3)23/h7-14,16H,4,15H2,1-3H3,(H,22,23)/t16-/m0/s1
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n/an/a 80n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131638
PNG
(US8835472, 14.47)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(OC2CCCC2)cc1)NC(=O)C1CC1
Show InChI InChI=1S/C26H29NO2/c1-19(27-26(28)23-14-15-23)18-22-10-8-20(9-11-22)6-7-21-12-16-25(17-13-21)29-24-4-2-3-5-24/h8-13,16-17,19,23-24H,2-5,14-15,18H2,1H3,(H,27,28)
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n/an/a 80n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131353
PNG
(US8835472, 9.20)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(OCC2CC2)cc1)NC(C)=O
Show InChI InChI=1S/C23H25NO2/c1-17(24-18(2)25)15-21-7-5-19(6-8-21)3-4-20-11-13-23(14-12-20)26-16-22-9-10-22/h5-8,11-14,17,22H,9-10,15-16H2,1-2H3,(H,24,25)
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n/an/a 80n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131581
PNG
(US8835472, 13.85)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cnc(nc1)N1CCC(=C)CC1)NC(C)=O
Show InChI InChI=1S/C23H26N4O/c1-17-10-12-27(13-11-17)23-24-15-22(16-25-23)9-6-20-4-7-21(8-5-20)14-18(2)26-19(3)28/h4-5,7-8,15-16,18H,1,10-14H2,2-3H3,(H,26,28)
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n/an/a 80n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131663
PNG
(US8835472, 23.5)
Show SMILES CCOc1ccc(cn1)C#Cc1ccc(C[C@H](C)NC(C)=O)cc1 |r|
Show InChI InChI=1S/C20H22N2O2/c1-4-24-20-12-11-19(14-21-20)10-7-17-5-8-18(9-6-17)13-15(2)22-16(3)23/h5-6,8-9,11-12,14-15H,4,13H2,1-3H3,(H,22,23)/t15-/m0/s1
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n/an/a 80n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131631
PNG
(US8835472, 14.40)
Show SMILES CCCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)C2CC2)cc1
Show InChI InChI=1S/C24H27NO2/c1-3-16-27-23-14-10-20(11-15-23)5-4-19-6-8-21(9-7-19)17-18(2)25-24(26)22-12-13-22/h6-11,14-15,18,22H,3,12-13,16-17H2,1-2H3,(H,25,26)
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n/an/a 80n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131160
PNG
(US8835472, 2.93)
Show SMILES CCCOc1ccc(C#Cc2ccc(CC(C)NC(C)=O)cc2)c(Cl)c1
Show InChI InChI=1S/C22H24ClNO2/c1-4-13-26-21-12-11-20(22(23)15-21)10-9-18-5-7-19(8-6-18)14-16(2)24-17(3)25/h5-8,11-12,15-16H,4,13-14H2,1-3H3,(H,24,25)
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n/an/a 80n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131622
PNG
(US8835472, 14.31)
Show SMILES CCCCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)C2CC2)cc1
Show InChI InChI=1S/C25H29NO2/c1-3-4-17-28-24-15-11-21(12-16-24)6-5-20-7-9-22(10-8-20)18-19(2)26-25(27)23-13-14-23/h7-12,15-16,19,23H,3-4,13-14,17-18H2,1-2H3,(H,26,27)
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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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131336
PNG
(US8835472, 9.3)
Show SMILES CCCCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C23H27NO2/c1-4-5-16-26-23-14-12-21(13-15-23)7-6-20-8-10-22(11-9-20)17-18(2)24-19(3)25/h8-15,18H,4-5,16-17H2,1-3H3,(H,24,25)
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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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131662
PNG
(US8835472, 23.4)
Show SMILES C[C@@H](Cc1ccc(cc1)C#Cc1ccc(cc1)C(C)(C)C)NC(C)=O |r|
Show InChI InChI=1S/C23H27NO/c1-17(24-18(2)25)16-21-10-8-19(9-11-21)6-7-20-12-14-22(15-13-20)23(3,4)5/h8-15,17H,16H2,1-5H3,(H,24,25)/t17-/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131439
PNG
(US8835472, 12.12)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cnc(OC2CCC2)nc1)NC(C)=O
Show InChI InChI=1S/C21H23N3O2/c1-15(24-16(2)25)12-18-9-6-17(7-10-18)8-11-19-13-22-21(23-14-19)26-20-4-3-5-20/h6-7,9-10,13-15,20H,3-5,12H2,1-2H3,(H,24,25)
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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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131104
PNG
(US8835472, 2.37)
Show SMILES CC(=O)NCC(C)(C)c1ccc(cc1)C#Cc1ccc(OCC2CC2)cc1
Show InChI InChI=1S/C24H27NO2/c1-18(26)25-17-24(2,3)22-12-8-19(9-13-22)4-5-20-10-14-23(15-11-20)27-16-21-6-7-21/h8-15,21H,6-7,16-17H2,1-3H3,(H,25,26)
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n/an/a 100n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131601
PNG
(US8835472, 14.10)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CCC(C)NC(C)=O)cc1
Show InChI InChI=1S/C22H25NO2/c1-4-25-22-15-13-21(14-16-22)12-11-20-9-7-19(8-10-20)6-5-17(2)23-18(3)24/h7-10,13-17H,4-6H2,1-3H3,(H,23,24)
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n/an/a 100n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131335
PNG
(US8835472, 9.2)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(OC2CCCC2)cc1)NC(C)=O
Show InChI InChI=1S/C24H27NO2/c1-18(25-19(2)26)17-22-11-9-20(10-12-22)7-8-21-13-15-24(16-14-21)27-23-5-3-4-6-23/h9-16,18,23H,3-6,17H2,1-2H3,(H,25,26)
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n/an/a 100n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131502
PNG
(US8835472, 13.6)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cnc(NCc2ccccc2)nc1)NC(C)=O
Show InChI InChI=1S/C24H24N4O/c1-18(28-19(2)29)14-21-11-8-20(9-12-21)10-13-23-16-26-24(27-17-23)25-15-22-6-4-3-5-7-22/h3-9,11-12,16-18H,14-15H2,1-2H3,(H,28,29)(H,25,26,27)
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n/an/a 100n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131365
PNG
(US8835472, 9.32)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(OCCC(F)(F)F)cc1)NC(C)=O
Show InChI InChI=1S/C22H22F3NO2/c1-16(26-17(2)27)15-20-7-5-18(6-8-20)3-4-19-9-11-21(12-10-19)28-14-13-22(23,24)25/h5-12,16H,13-15H2,1-2H3,(H,26,27)
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n/an/a 100n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131142
PNG
(US8835472, 2.75)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(OC(C)(C)C)cc1)NC(C)=O
Show InChI InChI=1S/C23H27NO2/c1-17(24-18(2)25)16-21-10-8-19(9-11-21)6-7-20-12-14-22(15-13-20)26-23(3,4)5/h8-15,17H,16H2,1-5H3,(H,24,25)
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n/an/a 100n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131251
PNG
(US8835472, 4.59)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)c2ccco2)cc1
Show InChI InChI=1S/C24H23NO3/c1-3-27-22-14-12-20(13-15-22)7-6-19-8-10-21(11-9-19)17-18(2)25-24(26)23-5-4-16-28-23/h4-5,8-16,18H,3,17H2,1-2H3,(H,25,26)
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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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131575
PNG
(US8835472, 13.79)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cnc(NCc2ccc(C)cc2)nc1)NC(C)=O
Show InChI InChI=1S/C25H26N4O/c1-18-4-6-23(7-5-18)15-26-25-27-16-24(17-28-25)13-10-21-8-11-22(12-9-21)14-19(2)29-20(3)30/h4-9,11-12,16-17,19H,14-15H2,1-3H3,(H,29,30)(H,26,27,28)
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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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131162
PNG
(US8835472, 2.95)
Show SMILES CCCOc1ccc(C#Cc2ccc(CC(C)NC(C)=O)cc2)c(C)c1
Show InChI InChI=1S/C23H27NO2/c1-5-14-26-23-13-12-22(17(2)15-23)11-10-20-6-8-21(9-7-20)16-18(3)24-19(4)25/h6-9,12-13,15,18H,5,14,16H2,1-4H3,(H,24,25)
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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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131508
PNG
(US8835472, 13.12)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cnc(NC2CCC2)nc1)NC(C)=O
Show InChI InChI=1S/C21H24N4O/c1-15(24-16(2)26)12-18-9-6-17(7-10-18)8-11-19-13-22-21(23-14-19)25-20-4-3-5-20/h6-7,9-10,13-15,20H,3-5,12H2,1-2H3,(H,24,26)(H,22,23,25)
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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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131084
PNG
(US8835472, 2.17)
Show SMILES CC(C)COc1ccc(cc1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C23H27NO2/c1-17(2)16-26-23-13-11-21(12-14-23)6-5-20-7-9-22(10-8-20)15-18(3)24-19(4)25/h7-14,17-18H,15-16H2,1-4H3,(H,24,25)
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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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131607
PNG
(US8835472, 14.16)
Show SMILES CCCOc1cc(ccn1)C#Cc1ccc(CCC(C)NC(C)=O)cc1
Show InChI InChI=1S/C22H26N2O2/c1-4-15-26-22-16-21(13-14-23-22)12-11-20-9-7-19(8-10-20)6-5-17(2)24-18(3)25/h7-10,13-14,16-17H,4-6,15H2,1-3H3,(H,24,25)
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n/an/a 120n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131120
PNG
(US8835472, 2.53)
Show SMILES CC(NC(C)=O)c1ccc(cc1)C#Cc1ccc(OC2CCC2)cc1
Show InChI InChI=1S/C22H23NO2/c1-16(23-17(2)24)20-12-8-18(9-13-20)6-7-19-10-14-22(15-11-19)25-21-4-3-5-21/h8-16,21H,3-5H2,1-2H3,(H,23,24)
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n/an/a 120n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131523
PNG
(US8835472, 13.27)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cnc(NC2CCC2)nc1)NC(=O)N(C)C
Show InChI InChI=1S/C22H27N5O/c1-16(25-22(28)27(2)3)13-18-10-7-17(8-11-18)9-12-19-14-23-21(24-15-19)26-20-5-4-6-20/h7-8,10-11,14-16,20H,4-6,13H2,1-3H3,(H,25,28)(H,23,24,26)
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n/an/a 120n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131597
PNG
(US8835472, 14.6)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(OC2CCC2)cc1)NC(C)=O
Show InChI InChI=1S/C23H25NO2/c1-17(24-18(2)25)16-21-10-8-19(9-11-21)6-7-20-12-14-23(15-13-20)26-22-4-3-5-22/h8-15,17,22H,3-5,16H2,1-2H3,(H,24,25)
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n/an/a 120n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131646
PNG
(US8835472, 14.55)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc2OCC(C)(C)COc2c1)NC(C)=O
Show InChI InChI=1S/C24H27NO3/c1-17(25-18(2)26)13-20-8-5-19(6-9-20)7-10-21-11-12-22-23(14-21)28-16-24(3,4)15-27-22/h5-6,8-9,11-12,14,17H,13,15-16H2,1-4H3,(H,25,26)
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n/an/a 120n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131200
PNG
(US8835472, 4.7)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)CC)cc1
Show InChI InChI=1S/C22H25NO2/c1-4-22(24)23-17(3)16-20-10-8-18(9-11-20)6-7-19-12-14-21(15-13-19)25-5-2/h8-15,17H,4-5,16H2,1-3H3,(H,23,24)
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n/an/a 120n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131083
PNG
(US8835472, 2.16)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(Oc2ccccc2)cc1)NC(C)=O
Show InChI InChI=1S/C25H23NO2/c1-19(26-20(2)27)18-23-12-10-21(11-13-23)8-9-22-14-16-25(17-15-22)28-24-6-4-3-5-7-24/h3-7,10-17,19H,18H2,1-2H3,(H,26,27)
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n/an/a 120n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131051
PNG
(US8835472, 1.16)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(cn1)-c1ccc(F)cc1)NC(C)=O
Show InChI InChI=1S/C24H21FN2O/c1-17(27-18(2)28)15-20-5-3-19(4-6-20)7-13-24-14-10-22(16-26-24)21-8-11-23(25)12-9-21/h3-6,8-12,14,16-17H,15H2,1-2H3,(H,27,28)
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n/an/a 120n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131167
PNG
(US8835472, 2.100)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(OC2CC2)cc1)NC(C)=O
Show InChI InChI=1S/C22H23NO2/c1-16(23-17(2)24)15-20-7-5-18(6-8-20)3-4-19-9-11-21(12-10-19)25-22-13-14-22/h5-12,16,22H,13-15H2,1-2H3,(H,23,24)
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n/an/a 120n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131582
PNG
(US8835472, 13.86)
Show SMILES COc1ccc(CNc2ncc(cn2)C#Cc2ccc(CC(C)NC(C)=O)cc2)cc1
Show InChI InChI=1S/C25H26N4O2/c1-18(29-19(2)30)14-21-7-4-20(5-8-21)6-9-23-16-27-25(28-17-23)26-15-22-10-12-24(31-3)13-11-22/h4-5,7-8,10-13,16-18H,14-15H2,1-3H3,(H,29,30)(H,26,27,28)
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n/an/a 120n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131063
PNG
(US8835472, 1.28)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C21H23NO2/c1-4-24-21-13-11-19(12-14-21)6-5-18-7-9-20(10-8-18)15-16(2)22-17(3)23/h7-14,16H,4,15H2,1-3H3,(H,22,23)
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n/an/a 120n/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131551
PNG
(US8835472, 13.55)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cnc(NCc2ccccc2C)nc1)NC(C)=O
Show InChI InChI=1S/C25H26N4O/c1-18-6-4-5-7-24(18)17-28-25-26-15-23(16-27-25)13-10-21-8-11-22(12-9-21)14-19(2)29-20(3)30/h4-9,11-12,15-16,19H,14,17H2,1-3H3,(H,29,30)(H,26,27,28)
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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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131660
PNG
(US8835472, 23.2)
Show SMILES CC(C)Oc1ccc(cc1)C#Cc1ccc(C[C@H](C)NC(C)=O)cc1 |r|
Show InChI InChI=1S/C22H25NO2/c1-16(2)25-22-13-11-20(12-14-22)6-5-19-7-9-21(10-8-19)15-17(3)23-18(4)24/h7-14,16-17H,15H2,1-4H3,(H,23,24)/t17-/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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131163
PNG
(US8835472, 2.96)
Show SMILES CCCCOc1cc(ccn1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C22H26N2O2/c1-4-5-14-26-22-16-21(12-13-23-22)11-8-19-6-9-20(10-7-19)15-17(2)24-18(3)25/h6-7,9-10,12-13,16-17H,4-5,14-15H2,1-3H3,(H,24,25)
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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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131102
PNG
(US8835472, 2.35)
Show SMILES CCCOc1ccc(cn1)C#Cc1ccc(cc1)C(C)(C)CNC(C)=O
Show InChI InChI=1S/C22H26N2O2/c1-5-14-26-21-13-10-19(15-23-21)7-6-18-8-11-20(12-9-18)22(3,4)16-24-17(2)25/h8-13,15H,5,14,16H2,1-4H3,(H,24,25)
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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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131574
PNG
(US8835472, 13.78)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cnc(NC2CC2)nc1)NC(C)=O
Show InChI InChI=1S/C20H22N4O/c1-14(23-15(2)25)11-17-6-3-16(4-7-17)5-8-18-12-21-20(22-13-18)24-19-9-10-19/h3-4,6-7,12-14,19H,9-11H2,1-2H3,(H,23,25)(H,21,22,24)
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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 US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%