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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))		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))		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))		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))		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))		BDBM131633
PNG
(US8835472, 14.42)
Show SMILES CCOc1ccc(cn1)C#Cc1ccc(CC(C)NC(=O)C2CC2)cc1
Show InChI InChI=1S/C22H24N2O2/c1-3-26-21-13-10-19(15-23-21)9-6-17-4-7-18(8-5-17)14-16(2)24-22(25)20-11-12-20/h4-5,7-8,10,13,15-16,20H,3,11-12,14H2,1-2H3,(H,24,25)
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n/an/a 830n/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))		BDBM131637
PNG
(US8835472, 14.46)
Show SMILES CCC(C)Oc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)C2CC2)cc1
Show InChI InChI=1S/C25H29NO2/c1-4-19(3)28-24-15-11-21(12-16-24)6-5-20-7-9-22(10-8-20)17-18(2)26-25(27)23-13-14-23/h7-12,15-16,18-19,23H,4,13-14,17H2,1-3H3,(H,26,27)
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n/an/a 210n/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))		BDBM131641
PNG
(US8835472, 14.50)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(OC(F)(F)F)cc1)NC(C)=O
Show InChI InChI=1S/C20H18F3NO2/c1-14(24-15(2)25)13-18-7-5-16(6-8-18)3-4-17-9-11-19(12-10-17)26-20(21,22)23/h5-12,14H,13H2,1-2H3,(H,24,25)
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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))		BDBM131644
PNG
(US8835472, 14.53)
Show SMILES CCOc1ccc(cn1)C#Cc1ccc(CCC(C)NC(C)=O)cc1
Show InChI InChI=1S/C21H24N2O2/c1-4-25-21-14-13-20(15-22-21)12-11-19-9-7-18(8-10-19)6-5-16(2)23-17(3)24/h7-10,13-16H,4-6H2,1-3H3,(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))		BDBM131645
PNG
(US8835472, 14.54)
Show SMILES CC(CCc1ccc(cc1)C#Cc1cnc(OC2CCC2)nc1)NC(C)=O
Show InChI InChI=1S/C22H25N3O2/c1-16(25-17(2)26)6-7-18-8-10-19(11-9-18)12-13-20-14-23-22(24-15-20)27-21-4-3-5-21/h8-11,14-16,21H,3-7H2,1-2H3,(H,25,26)
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n/an/a 240n/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))		BDBM131651
PNG
(US8835472, 17.1)
Show SMILES CCOc1cc(ncn1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C19H21N3O2/c1-4-24-19-12-18(20-13-21-19)10-9-16-5-7-17(8-6-16)11-14(2)22-15(3)23/h5-8,12-14H,4,11H2,1-3H3,(H,22,23)
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n/an/a 1.90E+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))		BDBM131654
PNG
(US8835472, 19.1)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)N2CC(C)(C)C2=O)cc1
Show InChI InChI=1S/C24H27NO2/c1-5-27-22-14-12-20(13-15-22)7-6-19-8-10-21(11-9-19)16-18(2)25-17-24(3,4)23(25)26/h8-15,18H,5,16-17H2,1-4H3
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n/an/a 1.80E+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))		BDBM131656
PNG
(US8835472, 20.2)
Show SMILES CCOc1cc(ccn1)C#Cc1ccc(CC(C)NC(=O)N(C)C)cc1
Show InChI InChI=1S/C21H25N3O2/c1-5-26-20-15-19(12-13-22-20)11-8-17-6-9-18(10-7-17)14-16(2)23-21(25)24(3)4/h6-7,9-10,12-13,15-16H,5,14H2,1-4H3,(H,23,25)
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n/an/a 600n/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))		BDBM131658
PNG
(US8835472, 22.1)
Show SMILES COc1ccc(cc1OC)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C21H23NO3/c1-15(22-16(2)23)13-18-8-5-17(6-9-18)7-10-19-11-12-20(24-3)21(14-19)25-4/h5-6,8-9,11-12,14-15H,13H2,1-4H3,(H,22,23)
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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))		BDBM131661
PNG
(US8835472, 23.3)
Show SMILES CC(C)COc1ccc(cc1)C#Cc1ccc(C[C@H](C)NC(C)=O)cc1 |r|
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)/t18-/m0/s1
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n/an/a 400n/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))		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))		BDBM131681
PNG
(US8835472, 27.3)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(CC)NC(C)=O)cc1
Show InChI InChI=1S/C22H25NO2/c1-4-21(23-17(3)24)16-20-10-8-18(9-11-20)6-7-19-12-14-22(15-13-19)25-5-2/h8-15,21H,4-5,16H2,1-3H3,(H,23,24)
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n/an/a 150n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent 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))		BDBM131699
PNG
(US8835472, 35.3)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CCNC(C)=O)cn1
Show InChI InChI=1S/C19H20N2O2/c1-3-23-19-10-6-16(7-11-19)4-8-18-9-5-17(14-21-18)12-13-20-15(2)22/h5-7,9-11,14H,3,12-13H2,1-2H3,(H,20,22)
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n/an/a 2.69E+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))		BDBM131040
PNG
(US8835472, 1.5)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(cc1)C(O)=O)NC(C)=O
Show InChI InChI=1S/C20H19NO3/c1-14(21-15(2)22)13-18-7-5-16(6-8-18)3-4-17-9-11-19(12-10-17)20(23)24/h5-12,14H,13H2,1-2H3,(H,21,22)(H,23,24)
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n/an/a 2.40E+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))		BDBM131052
PNG
(US8835472, 1.17)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(cn1)-c1ccc(C)cc1)NC(C)=O
Show InChI InChI=1S/C25H24N2O/c1-18-4-11-23(12-5-18)24-13-15-25(26-17-24)14-10-21-6-8-22(9-7-21)16-19(2)27-20(3)28/h4-9,11-13,15,17,19H,16H2,1-3H3,(H,27,28)
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n/an/a 390n/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))		BDBM131056
PNG
(US8835472, 1.21)
Show SMILES CCc1ccc(cc1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C21H23NO/c1-4-18-5-7-19(8-6-18)9-10-20-11-13-21(14-12-20)15-16(2)22-17(3)23/h5-8,11-14,16H,4,15H2,1-3H3,(H,22,23)
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n/an/a 400n/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))		BDBM131069
PNG
(US8835472, 2.2)
Show SMILES CCOC(=O)c1cccc(c1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C22H23NO3/c1-4-26-22(25)21-7-5-6-19(15-21)11-8-18-9-12-20(13-10-18)14-16(2)23-17(3)24/h5-7,9-10,12-13,15-16H,4,14H2,1-3H3,(H,23,24)
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n/an/a 390n/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))		BDBM131092
PNG
(US8835472, 2.25)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(OC2CCCC2)nc1)NC(C)=O
Show InChI InChI=1S/C23H26N2O2/c1-17(25-18(2)26)15-20-10-7-19(8-11-20)9-12-21-13-14-23(24-16-21)27-22-5-3-4-6-22/h7-8,10-11,13-14,16-17,22H,3-6,15H2,1-2H3,(H,25,26)
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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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131097
PNG
(US8835472, 2.30)
Show SMILES COc1ccc(cc1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C20H21NO2/c1-15(21-16(2)22)14-19-8-6-17(7-9-19)4-5-18-10-12-20(23-3)13-11-18/h6-13,15H,14H2,1-3H3,(H,21,22)
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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))		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))		BDBM131135
PNG
(US8835472, 2.68)
Show SMILES CCCOc1ccc(C#Cc2ccc(CC(C)NC(=O)C3CC3)cc2)c(OC)c1
Show InChI InChI=1S/C25H29NO3/c1-4-15-29-23-14-13-21(24(17-23)28-3)10-9-19-5-7-20(8-6-19)16-18(2)26-25(27)22-11-12-22/h5-8,13-14,17-18,22H,4,11-12,15-16H2,1-3H3,(H,26,27)
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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))		BDBM131158
PNG
(US8835472, 2.91)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccnc(Oc2cncnc2)c1)NC(C)=O
Show InChI InChI=1S/C22H20N4O2/c1-16(26-17(2)27)11-19-6-3-18(4-7-19)5-8-20-9-10-25-22(12-20)28-21-13-23-15-24-14-21/h3-4,6-7,9-10,12-16H,11H2,1-2H3,(H,26,27)
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n/an/a 400n/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))		BDBM131161
PNG
(US8835472, 2.94)
Show SMILES COc1cc(ccn1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C19H20N2O2/c1-14(21-15(2)22)12-17-7-4-16(5-8-17)6-9-18-10-11-20-19(13-18)23-3/h4-5,7-8,10-11,13-14H,12H2,1-3H3,(H,21,22)
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n/an/a 260n/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))		BDBM131169
PNG
(US8835472, 2.102)
Show SMILES CCOc1cc(ccn1)C#Cc1ccc(cc1)C(C)NC(C)=O
Show InChI InChI=1S/C19H20N2O2/c1-4-23-19-13-17(11-12-20-19)6-5-16-7-9-18(10-8-16)14(2)21-15(3)22/h7-14H,4H2,1-3H3,(H,21,22)
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n/an/a 580n/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))		BDBM131194
PNG
(US8835472, 4.1)
Show SMILES CCCC(=O)NC(C)Cc1ccc(cc1)C#Cc1ccc(OCC)cc1
Show InChI InChI=1S/C23H27NO2/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/h9-16,18H,4-6,17H2,1-3H3,(H,24,25)
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n/an/a 210n/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))		BDBM131204
PNG
(US8835472, 4.11)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)CCOC)cc1
Show InChI InChI=1S/C23H27NO3/c1-4-27-22-13-11-20(12-14-22)6-5-19-7-9-21(10-8-19)17-18(2)24-23(25)15-16-26-3/h7-14,18H,4,15-17H2,1-3H3,(H,24,25)
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n/an/a 1.40E+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))		BDBM131231
PNG
(US8835472, 4.38)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)c2cnco2)cc1
Show InChI InChI=1S/C23H22N2O3/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 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 US8835472 (2014)


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


(Homo sapiens (Human))		BDBM131239
PNG
(US8835472, 4.47)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(cc1)C(C)NC(=O)c1ccccn1
Show InChI InChI=1S/C24H22N2O2/c1-3-28-22-15-11-20(12-16-22)8-7-19-9-13-21(14-10-19)18(2)26-24(27)23-6-4-5-17-25-23/h4-6,9-18H,3H2,1-2H3,(H,26,27)
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n/an/a 2.70E+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))		BDBM131258
PNG
(US8835472, 4.66)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)c2cnc[nH]2)cc1
Show InChI InChI=1S/C23H23N3O2/c1-3-28-21-12-10-19(11-13-21)5-4-18-6-8-20(9-7-18)14-17(2)26-23(27)22-15-24-16-25-22/h6-13,15-17H,3,14H2,1-2H3,(H,24,25)(H,26,27)
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n/an/a 4.70E+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))		BDBM131260
PNG
(US8835472, 4.68)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)c2cc[nH]c2)cc1
Show InChI InChI=1S/C24H24N2O2/c1-3-28-23-12-10-20(11-13-23)5-4-19-6-8-21(9-7-19)16-18(2)26-24(27)22-14-15-25-17-22/h6-15,17-18,25H,3,16H2,1-2H3,(H,26,27)
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n/an/a 450n/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))		BDBM131271
PNG
(US8835472, 4.79)
Show SMILES CC(CNC(=O)C(F)F)c1ccc(cc1)C#Cc1cnc(OC2CCC2)nc1
Show InChI InChI=1S/C21H21F2N3O2/c1-14(11-24-20(27)19(22)23)17-9-7-15(8-10-17)5-6-16-12-25-21(26-13-16)28-18-3-2-4-18/h7-10,12-14,18-19H,2-4,11H2,1H3,(H,24,27)
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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))		BDBM131276
PNG
(US8835472, 5.4)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)NS(C)(=O)=O)cc1
Show InChI InChI=1S/C20H23NO3S/c1-4-24-20-13-11-18(12-14-20)6-5-17-7-9-19(10-8-17)15-16(2)21-25(3,22)23/h7-14,16,21H,4,15H2,1-3H3
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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))		BDBM131280
PNG
(US8835472, 6.4)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(cc1)C(C)NC(=O)NCC(O)=O
Show InChI InChI=1S/C21H22N2O4/c1-3-27-19-12-8-17(9-13-19)5-4-16-6-10-18(11-7-16)15(2)23-21(26)22-14-20(24)25/h6-13,15H,3,14H2,1-2H3,(H,24,25)(H2,22,23,26)
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n/an/a 9.60E+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))		BDBM131292
PNG
(US8835472, 8.10)
Show SMILES CCCN(C)C(=O)c1ccc(cc1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C24H28N2O2/c1-5-16-26(4)24(28)23-14-12-21(13-15-23)7-6-20-8-10-22(11-9-20)17-18(2)25-19(3)27/h8-15,18H,5,16-17H2,1-4H3,(H,25,27)
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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))		BDBM131293
PNG
(US8835472, 8.11)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(cc1)C(=O)NCc1ccncc1)NC(C)=O
Show InChI InChI=1S/C26H25N3O2/c1-19(29-20(2)30)17-23-7-5-21(6-8-23)3-4-22-9-11-25(12-10-22)26(31)28-18-24-13-15-27-16-14-24/h5-16,19H,17-18H2,1-2H3,(H,28,31)(H,29,30)
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n/an/a 1.66E+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))		BDBM131296
PNG
(US8835472, 8.14)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N(C)Cc1cccnc1)NC(C)=O
Show InChI InChI=1S/C27H27N3O2/c1-20(29-21(2)31)17-24-10-8-22(9-11-24)6-7-23-12-14-26(15-13-23)27(32)30(3)19-25-5-4-16-28-18-25/h4-5,8-16,18,20H,17,19H2,1-3H3,(H,29,31)
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n/an/a 1.15E+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))		BDBM131299
PNG
(US8835472, 8.17)
Show SMILES CCNC(=O)c1ccc(cc1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C22H24N2O2/c1-4-23-22(26)21-13-11-19(12-14-21)6-5-18-7-9-20(10-8-18)15-16(2)24-17(3)25/h7-14,16H,4,15H2,1-3H3,(H,23,26)(H,24,25)
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n/an/a 4.40E+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))		BDBM131310
PNG
(US8835472, 8.28)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cccc(c1)C(=O)NCC1CC1)NC(C)=O
Show InChI InChI=1S/C24H26N2O2/c1-17(26-18(2)27)14-21-10-7-19(8-11-21)6-9-20-4-3-5-23(15-20)24(28)25-16-22-12-13-22/h3-5,7-8,10-11,15,17,22H,12-14,16H2,1-2H3,(H,25,28)(H,26,27)
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n/an/a 5.00E+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))		BDBM131323
PNG
(US8835472, 8.41)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cccc(c1)C(=O)NC(C)c1ccccc1)NC(C)=O
Show InChI InChI=1S/C28H28N2O2/c1-20(29-22(3)31)18-25-16-13-23(14-17-25)12-15-24-8-7-11-27(19-24)28(32)30-21(2)26-9-5-4-6-10-26/h4-11,13-14,16-17,19-21H,18H2,1-3H3,(H,29,31)(H,30,32)
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n/an/a 2.33E+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
Displayed 1 to 50 (of 664 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%