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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°
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))		BDBM131553
PNG
(US8835472, 13.57)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cnc(nc1)N1CCC(C)(C)CC1)NC(C)=O
Show InChI InChI=1S/C24H30N4O/c1-18(27-19(2)29)15-21-8-5-20(6-9-21)7-10-22-16-25-23(26-17-22)28-13-11-24(3,4)12-14-28/h5-6,8-9,16-18H,11-15H2,1-4H3,(H,27,29)
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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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131554
PNG
(US8835472, 13.58)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cnc(nc1)N(C)C)NC(C)=O
Show InChI InChI=1S/C19H22N4O/c1-14(22-15(2)24)11-17-8-5-16(6-9-17)7-10-18-12-20-19(21-13-18)23(3)4/h5-6,8-9,12-14H,11H2,1-4H3,(H,22,24)
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n/an/a 1.20E+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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131560
PNG
(US8835472, 13.64)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cnc(nc1)N1Cc2ccccc2C1)NC(C)=O
Show InChI InChI=1S/C25H24N4O/c1-18(28-19(2)30)13-21-10-7-20(8-11-21)9-12-22-14-26-25(27-15-22)29-16-23-5-3-4-6-24(23)17-29/h3-8,10-11,14-15,18H,13,16-17H2,1-2H3,(H,28,30)
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n/an/a 800n/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))		BDBM131566
PNG
(US8835472, 13.70)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cnc(NCc2ncccn2)nc1)NC(C)=O
Show InChI InChI=1S/C22H22N6O/c1-16(28-17(2)29)12-19-7-4-18(5-8-19)6-9-20-13-25-22(26-14-20)27-15-21-23-10-3-11-24-21/h3-5,7-8,10-11,13-14,16H,12,15H2,1-2H3,(H,28,29)(H,25,26,27)
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n/an/a 6.80E+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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131569
PNG
(US8835472, 13.73)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cnc(nc1)N1CCC2(CCCC2)C1)NC(C)=O
Show InChI InChI=1S/C25H30N4O/c1-19(28-20(2)30)15-22-8-5-21(6-9-22)7-10-23-16-26-24(27-17-23)29-14-13-25(18-29)11-3-4-12-25/h5-6,8-9,16-17,19H,3-4,11-15,18H2,1-2H3,(H,28,30)
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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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131577
PNG
(US8835472, 13.81)
Show SMILES CCC(CC)Nc1ncc(cn1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C22H28N4O/c1-5-21(6-2)26-22-23-14-20(15-24-22)12-9-18-7-10-19(11-8-18)13-16(3)25-17(4)27/h7-8,10-11,14-16,21H,5-6,13H2,1-4H3,(H,25,27)(H,23,24,26)
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n/an/a 330n/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))		BDBM131584
PNG
(US8835472, 13.88)
Show SMILES C[C@H](NC(=O)C1CC1)c1ccc(cc1)C#Cc1cnc(NC2CCC2)nc1 |r|
Show InChI InChI=1S/C22H24N4O/c1-15(25-21(27)19-11-12-19)18-9-7-16(8-10-18)5-6-17-13-23-22(24-14-17)26-20-3-2-4-20/h7-10,13-15,19-20H,2-4,11-12H2,1H3,(H,25,27)(H,23,24,26)/t15-/m0/s1
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n/an/a 3.10E+3n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131585
PNG
(US8835472, 13.89)
Show SMILES C[C@H](NC(C)=O)c1ccc(cc1)C#Cc1cnc(NC2CCC2)nc1 |r|
Show InChI InChI=1S/C20H22N4O/c1-14(23-15(2)25)18-10-8-16(9-11-18)6-7-17-12-21-20(22-13-17)24-19-4-3-5-19/h8-14,19H,3-5H2,1-2H3,(H,23,25)(H,21,22,24)/t14-/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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131593
PNG
(US8835472, 14.2)
Show SMILES CCOc1ccc(cn1)C#Cc1ccc(cc1)C(C)NC(C)=O
Show InChI InChI=1S/C19H20N2O2/c1-4-23-19-12-9-17(13-20-19)6-5-16-7-10-18(11-8-16)14(2)21-15(3)22/h7-14H,4H2,1-3H3,(H,21,22)
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n/an/a 5.90E+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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131599
PNG
(US8835472, 14.8)
Show SMILES COc1ccc(cn1)C#Cc1ccc(CCC(C)NC(C)=O)cc1
Show InChI InChI=1S/C20H22N2O2/c1-15(22-16(2)23)4-5-17-6-8-18(9-7-17)10-11-19-12-13-20(24-3)21-14-19/h6-9,12-15H,4-5H2,1-3H3,(H,22,23)
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n/an/a 1.30E+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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131619
PNG
(US8835472, 14.28)
Show SMILES CC(C)Oc1ccc(cc1)C#Cc1ccc(cc1)[C@H](C)NC(=O)C1CC1 |r|
Show InChI InChI=1S/C23H25NO2/c1-16(2)26-22-14-8-19(9-15-22)5-4-18-6-10-20(11-7-18)17(3)24-23(25)21-12-13-21/h6-11,14-17,21H,12-13H2,1-3H3,(H,24,25)/t17-/m0/s1
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n/an/a 3.40E+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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131624
PNG
(US8835472, 14.33)
Show SMILES CCC(CC)Oc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)C2CC2)cc1
Show InChI InChI=1S/C26H31NO2/c1-4-24(5-2)29-25-16-12-21(13-17-25)7-6-20-8-10-22(11-9-20)18-19(3)27-26(28)23-14-15-23/h8-13,16-17,19,23-24H,4-5,14-15,18H2,1-3H3,(H,27,28)
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n/an/a 1.60E+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 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))		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))		BDBM131667
PNG
(US8835472, 23.9)
Show SMILES CCC(C)Oc1ccc(cc1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C23H27NO2/c1-5-18(3)26-23-14-12-21(13-15-23)7-6-20-8-10-22(11-9-20)16-17(2)24-19(4)25/h8-15,17-18H,5,16H2,1-4H3,(H,24,25)
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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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131682
PNG
(US8835472, 28.1)
Show SMILES C[C@H](NC(=O)C1CC1)c1ccc(I)cc1 |r|
Show InChI InChI=1S/C12H14INO/c1-8(14-12(15)10-2-3-10)9-4-6-11(13)7-5-9/h4-8,10H,2-3H2,1H3,(H,14,15)/t8-/m0/s1
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n/an/a 2.44E+4n/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))		BDBM131698
PNG
(US8835472, 35.2)
Show SMILES CCCOc1ccc(cc1)C#Cc1ccc(CC(C)(C)NC(=O)C2CC2)cc1
Show InChI InChI=1S/C25H29NO2/c1-4-17-28-23-15-11-20(12-16-23)6-5-19-7-9-21(10-8-19)18-25(2,3)26-24(27)22-13-14-22/h7-12,15-16,22H,4,13-14,17-18H2,1-3H3,(H,26,27)
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n/an/a 330n/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))		BDBM131048
PNG
(US8835472, 1.13)
Show SMILES COc1ccc(cc1)-c1cnc(cn1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C24H23N3O2/c1-17(27-18(2)28)14-20-6-4-19(5-7-20)8-11-22-15-26-24(16-25-22)21-9-12-23(29-3)13-10-21/h4-7,9-10,12-13,15-17H,14H2,1-3H3,(H,27,28)
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n/an/a 1.10E+3n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131057
PNG
(US8835472, 1.22)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(cc1)C(C)C)NC(C)=O
Show InChI InChI=1S/C22H25NO/c1-16(2)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)
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n/an/a 290n/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))		BDBM131071
PNG
(US8835472, 2.4)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cccc2ncccc12)NC(C)=O
Show InChI InChI=1S/C22H20N2O/c1-16(24-17(2)25)15-19-10-8-18(9-11-19)12-13-20-5-3-7-22-21(20)6-4-14-23-22/h3-11,14,16H,15H2,1-2H3,(H,24,25)
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n/an/a 3.30E+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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131072
PNG
(US8835472, 2.5)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(OCC2(N)CC2)c(C)c1)NC(C)=O
Show InChI InChI=1S/C24H28N2O2/c1-17-14-21(10-11-23(17)28-16-24(25)12-13-24)7-4-20-5-8-22(9-6-20)15-18(2)26-19(3)27/h5-6,8-11,14,18H,12-13,15-16,25H2,1-3H3,(H,26,27)
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n/an/a 820n/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))		BDBM131076
PNG
(US8835472, 2.9)
Show SMILES COc1ncc(C#Cc2ccc(CC(C)NC(C)=O)cc2)c(OC)n1
Show InChI InChI=1S/C19H21N3O3/c1-13(21-14(2)23)11-16-7-5-15(6-8-16)9-10-17-12-20-19(25-4)22-18(17)24-3/h5-8,12-13H,11H2,1-4H3,(H,21,23)
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n/an/a 1.50E+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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131077
PNG
(US8835472, 2.10)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(OC(F)(F)F)cc1C#N)NC(C)=O
Show InChI InChI=1S/C21H17F3N2O2/c1-14(26-15(2)27)11-17-5-3-16(4-6-17)7-8-18-9-10-20(12-19(18)13-25)28-21(22,23)24/h3-6,9-10,12,14H,11H2,1-2H3,(H,26,27)
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n/an/a 7.50E+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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131079
PNG
(US8835472, 2.12)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(CN2CCCC2)cc1)NC(C)=O
Show InChI InChI=1S/C24H28N2O/c1-19(25-20(2)27)17-23-11-7-21(8-12-23)5-6-22-9-13-24(14-10-22)18-26-15-3-4-16-26/h7-14,19H,3-4,15-18H2,1-2H3,(H,25,27)
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n/an/a 6.70E+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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131080
PNG
(US8835472, 2.13)
Show SMILES COc1ncccc1C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C19H20N2O2/c1-14(21-15(2)22)13-17-8-6-16(7-9-17)10-11-18-5-4-12-20-19(18)23-3/h4-9,12,14H,13H2,1-3H3,(H,21,22)
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n/an/a 5.30E+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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131094
PNG
(US8835472, 2.27)
Show SMILES CCCOc1ccc(cn1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C21H24N2O2/c1-4-13-25-21-12-11-20(15-22-21)10-7-18-5-8-19(9-6-18)14-16(2)23-17(3)24/h5-6,8-9,11-12,15-16H,4,13-14H2,1-3H3,(H,23,24)
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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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131098
PNG
(US8835472, 2.31)
Show SMILES CCOc1ccc(cn1)C#Cc1ccc(CC(C)NC(C)=O)cc1
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)
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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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131099
PNG
(US8835472, 2.32)
Show SMILES CCCOc1ccc(C#Cc2ccc(CC(C)NC(C)=O)cc2)c(OC)c1
Show InChI InChI=1S/C23H27NO3/c1-5-14-27-22-13-12-21(23(16-22)26-4)11-10-19-6-8-20(9-7-19)15-17(2)24-18(3)25/h6-9,12-13,16-17H,5,14-15H2,1-4H3,(H,24,25)
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n/an/a 160n/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))		BDBM131106
PNG
(US8835472, 2.39)
Show SMILES CC(C)Oc1ccc(cn1)C#Cc1ccc(cc1)C(C)(C)NC(C)=O
Show InChI InChI=1S/C21H24N2O2/c1-15(2)25-20-13-10-18(14-22-20)7-6-17-8-11-19(12-9-17)21(4,5)23-16(3)24/h8-15H,1-5H3,(H,23,24)
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n/an/a 2.16E+4n/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))		BDBM131114
PNG
(US8835472, 2.47)
Show SMILES CC(C)Oc1ccc(cc1)C#Cc1ccc(cc1)C(C)NC(C)=O
Show InChI InChI=1S/C21H23NO2/c1-15(2)24-21-13-9-19(10-14-21)6-5-18-7-11-20(12-8-18)16(3)22-17(4)23/h7-16H,1-4H3,(H,22,23)
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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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131116
PNG
(US8835472, 2.49)
Show SMILES CCCOc1ccc(cc1)C#Cc1ccc(cc1)C(C)NC(C)=O
Show InChI InChI=1S/C21H23NO2/c1-4-15-24-21-13-9-19(10-14-21)6-5-18-7-11-20(12-8-18)16(2)22-17(3)23/h7-14,16H,4,15H2,1-3H3,(H,22,23)
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n/an/a 250n/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))		BDBM131137
PNG
(US8835472, 2.70)
Show SMILES CCCOc1ccc(cn1)C#Cc1ccc(CC(C)NC(=O)C2CC2)cc1
Show InChI InChI=1S/C23H26N2O2/c1-3-14-27-22-13-10-20(16-24-22)9-6-18-4-7-19(8-5-18)15-17(2)25-23(26)21-11-12-21/h4-5,7-8,10,13,16-17,21H,3,11-12,14-15H2,1-2H3,(H,25,26)
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n/an/a 800n/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))		BDBM131144
PNG
(US8835472, 2.77)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(Oc2ccccc2)nn1)NC(C)=O
Show InChI InChI=1S/C23H21N3O2/c1-17(24-18(2)27)16-20-10-8-19(9-11-20)12-13-21-14-15-23(26-25-21)28-22-6-4-3-5-7-22/h3-11,14-15,17H,16H2,1-2H3,(H,24,27)
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n/an/a 1.50E+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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131148
PNG
(US8835472, 2.81)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cc(C)c2n(C)c(=O)oc2c1)NC(C)=O
Show InChI InChI=1S/C22H22N2O3/c1-14-11-19(13-20-21(14)24(4)22(26)27-20)10-7-17-5-8-18(9-6-17)12-15(2)23-16(3)25/h5-6,8-9,11,13,15H,12H2,1-4H3,(H,23,25)
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n/an/a 4.00E+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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131153
PNG
(US8835472, 2.86)
Show SMILES CC(C)Oc1ccc(nn1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C20H23N3O2/c1-14(2)25-20-12-11-19(22-23-20)10-9-17-5-7-18(8-6-17)13-15(3)21-16(4)24/h5-8,11-12,14-15H,13H2,1-4H3,(H,21,24)
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n/an/a 930n/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))		BDBM131154
PNG
(US8835472, 2.87)
Show SMILES CCn1ccc(cc1=O)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C20H22N2O2/c1-4-22-12-11-19(14-20(22)24)10-7-17-5-8-18(9-6-17)13-15(2)21-16(3)23/h5-6,8-9,11-12,14-15H,4,13H2,1-3H3,(H,21,23)
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n/an/a 1.29E+4n/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))		BDBM131157
PNG
(US8835472, 2.90)
Show SMILES CCCOc1ccc(C#Cc2ccc(CC(C)NC(C)=O)cc2)c(c1)C(N)=O
Show InChI InChI=1S/C23H26N2O3/c1-4-13-28-21-12-11-20(22(15-21)23(24)27)10-9-18-5-7-19(8-6-18)14-16(2)25-17(3)26/h5-8,11-12,15-16H,4,13-14H2,1-3H3,(H2,24,27)(H,25,26)
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n/an/a 5.20E+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 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))		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))		BDBM131168
PNG
(US8835472, 2.101)
Show SMILES CSc1ccc(cc1)C#Cc1ccc(cc1)C(C)NC(C)=O
Show InChI InChI=1S/C19H19NOS/c1-14(20-15(2)21)18-10-6-16(7-11-18)4-5-17-8-12-19(22-3)13-9-17/h6-14H,1-3H3,(H,20,21)
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n/an/a 350n/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))		BDBM131176
PNG
(US8835472, 2.109)
Show SMILES COCc1ccc(cc1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C21H23NO2/c1-16(22-17(2)23)14-20-10-6-18(7-11-20)4-5-19-8-12-21(13-9-19)15-24-3/h6-13,16H,14-15H2,1-3H3,(H,22,23)
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n/an/a 790n/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))		BDBM131179
PNG
(US8835472, 3.3)
Show SMILES COc1cc(ccc1Cl)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C20H20ClNO2/c1-14(22-15(2)23)12-17-7-4-16(5-8-17)6-9-18-10-11-19(21)20(13-18)24-3/h4-5,7-8,10-11,13-14H,12H2,1-3H3,(H,22,23)
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n/an/a 1.30E+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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131183
PNG
(US8835472, 3.7)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cc2OCOc2cc1C#N)NC(C)=O
Show InChI InChI=1S/C21H18N2O3/c1-14(23-15(2)24)9-17-5-3-16(4-6-17)7-8-18-10-20-21(26-13-25-20)11-19(18)12-22/h3-6,10-11,14H,9,13H2,1-2H3,(H,23,24)
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n/an/a 1.06E+4n/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))		BDBM131186
PNG
(US8835472, 3.10)
Show SMILES COC(=O)c1cc(ccn1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C20H20N2O3/c1-14(22-15(2)23)12-17-7-4-16(5-8-17)6-9-18-10-11-21-19(13-18)20(24)25-3/h4-5,7-8,10-11,13-14H,12H2,1-3H3,(H,22,23)
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n/an/a 4.50E+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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131193
PNG
(US8835472, 3.17)
Show SMILES COC(=O)c1ccc(o1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C19H19NO4/c1-13(20-14(2)21)12-16-6-4-15(5-7-16)8-9-17-10-11-18(24-17)19(22)23-3/h4-7,10-11,13H,12H2,1-3H3,(H,20,21)
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n/an/a 880n/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))		BDBM131195
PNG
(US8835472, 4.2)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)C(C)C)cc1
Show InChI InChI=1S/C23H27NO2/c1-5-26-22-14-12-20(13-15-22)7-6-19-8-10-21(11-9-19)16-18(4)24-23(25)17(2)3/h8-15,17-18H,5,16H2,1-4H3,(H,24,25)
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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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131196
PNG
(US8835472, 4.3)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)\C=C\C)cc1
Show InChI InChI=1S/C23H25NO2/c1-4-6-23(25)24-18(3)17-21-11-9-19(10-12-21)7-8-20-13-15-22(16-14-20)26-5-2/h4,6,9-16,18H,5,17H2,1-3H3,(H,24,25)/b6-4+
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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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131205
PNG
(US8835472, 4.12)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)C2(O)CC2)cc1
Show InChI InChI=1S/C23H25NO3/c1-3-27-21-12-10-19(11-13-21)5-4-18-6-8-20(9-7-18)16-17(2)24-22(25)23(26)14-15-23/h6-13,17,26H,3,14-16H2,1-2H3,(H,24,25)
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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 US8835472 (2014)


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