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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))		BDBM131562
PNG
(US8835472, 13.66)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cnc(NC(C)C2CC2)nc1)NC(C)=O
Show InChI InChI=1S/C22H26N4O/c1-15(25-17(3)27)12-19-7-4-18(5-8-19)6-9-20-13-23-22(24-14-20)26-16(2)21-10-11-21/h4-5,7-8,13-16,21H,10-12H2,1-3H3,(H,25,27)(H,23,24,26)
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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))		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))		BDBM131592
PNG
(US8835472, 14.1)
Show SMILES CSc1nccc(n1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C18H19N3OS/c1-13(20-14(2)22)12-16-6-4-15(5-7-16)8-9-17-10-11-19-18(21-17)23-3/h4-7,10-11,13H,12H2,1-3H3,(H,20,22)
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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))		BDBM131602
PNG
(US8835472, 14.11)
Show SMILES CCCOc1ccc(cc1)C#Cc1ccc(CCC(C)NC(C)=O)cc1
Show InChI InChI=1S/C23H27NO2/c1-4-17-26-23-15-13-22(14-16-23)12-11-21-9-7-20(8-10-21)6-5-18(2)24-19(3)25/h7-10,13-16,18H,4-6,17H2,1-3H3,(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))		BDBM131612
PNG
(US8835472, 14.21)
Show SMILES CC(C)CCOc1ccc(nn1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C22H27N3O2/c1-16(2)13-14-27-22-12-11-21(24-25-22)10-9-19-5-7-20(8-6-19)15-17(3)23-18(4)26/h5-8,11-12,16-17H,13-15H2,1-4H3,(H,23,26)
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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))		BDBM131613
PNG
(US8835472, 14.22)
Show SMILES CCCOc1cc(ccn1)C#Cc1ccc(cc1)[C@@H](C)NC(C)=O |r|
Show InChI InChI=1S/C20H22N2O2/c1-4-13-24-20-14-18(11-12-21-20)6-5-17-7-9-19(10-8-17)15(2)22-16(3)23/h7-12,14-15H,4,13H2,1-3H3,(H,22,23)/t15-/m1/s1
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n/an/a 1.34E+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))		BDBM131614
PNG
(US8835472, 14.23)
Show SMILES CCCOc1ccc(cc1)C#Cc1ccc(cc1)[C@H](C)NC(C)=O |r|
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)/t16-/m0/s1
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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))		BDBM131616
PNG
(US8835472, 14.25)
Show SMILES CCOc1ccc(cn1)C#Cc1ccc(cc1)[C@H](C)NC(C)=O |r|
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)/t14-/m0/s1
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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))		BDBM131620
PNG
(US8835472, 14.29)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(OC2CCC2)cc1)NC(=O)C1CC1
Show InChI InChI=1S/C25H27NO2/c1-18(26-25(27)22-13-14-22)17-21-9-7-19(8-10-21)5-6-20-11-15-24(16-12-20)28-23-3-2-4-23/h7-12,15-16,18,22-23H,2-4,13-14,17H2,1H3,(H,26,27)
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n/an/a 680n/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))		BDBM131626
PNG
(US8835472, 14.35)
Show SMILES CC(C)Oc1ccc(cc1)C#Cc1ccc(CCNC(C)=O)cc1
Show InChI InChI=1S/C21H23NO2/c1-16(2)24-21-12-10-19(11-13-21)5-4-18-6-8-20(9-7-18)14-15-22-17(3)23/h6-13,16H,14-15H2,1-3H3,(H,22,23)
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n/an/a 730n/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))		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))		BDBM131657
PNG
(US8835472, 21.1)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(cc1)-c1ccccc1)NC(C)=O
Show InChI InChI=1S/C25H23NO/c1-19(26-20(2)27)18-23-12-10-21(11-13-23)8-9-22-14-16-25(17-15-22)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 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))		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))		BDBM131672
PNG
(US8835472, 23.14)
Show SMILES CCCOc1ccc(nc1)C#Cc1ccc(cc1)C(C)(C)CNC(C)=O
Show InChI InChI=1S/C22H26N2O2/c1-5-14-26-21-13-12-20(23-15-21)11-8-18-6-9-19(10-7-18)22(3,4)16-24-17(2)25/h6-7,9-10,12-13,15H,5,14,16H2,1-4H3,(H,24,25)
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n/an/a 650n/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))		BDBM131673
PNG
(US8835472, 23.15)
Show SMILES CC(=O)NC(C)(C)c1ccc(cc1)C#Cc1cnc(OC2CCC2)nc1
Show InChI InChI=1S/C21H23N3O2/c1-15(25)24-21(2,3)18-11-9-16(10-12-18)7-8-17-13-22-20(23-14-17)26-19-5-4-6-19/h9-14,19H,4-6H2,1-3H3,(H,24,25)
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n/an/a 2.15E+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))		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))		BDBM131678
PNG
(US8835472, 26.1)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CCNC(C)=O)nc1
Show InChI InChI=1S/C19H20N2O2/c1-3-23-19-10-7-16(8-11-19)4-5-17-6-9-18(21-14-17)12-13-20-15(2)22/h6-11,14H,3,12-13H2,1-2H3,(H,20,22)
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n/an/a 7.20E+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))		BDBM131685
PNG
(US8835472, 30.1)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccnc(n1)N(C)C1CCCC1)NC(C)=O
Show InChI InChI=1S/C23H28N4O/c1-17(25-18(2)28)16-20-10-8-19(9-11-20)12-13-21-14-15-24-23(26-21)27(3)22-6-4-5-7-22/h8-11,14-15,17,22H,4-7,16H2,1-3H3,(H,25,28)
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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))		BDBM131686
PNG
(US8835472, 31.1)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(OCc2nccs2)cc1)NC(C)=O
Show InChI InChI=1S/C23H22N2O2S/c1-17(25-18(2)26)15-21-7-5-19(6-8-21)3-4-20-9-11-22(12-10-20)27-16-23-24-13-14-28-23/h5-14,17H,15-16H2,1-2H3,(H,25,26)
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n/an/a 1.70E+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))		BDBM131689
PNG
(US8835472, 32.2)
Show SMILES CCCOc1ccc(cc1)C#Cc1ccc(cc1)C(C)CNC(=O)C1CC1
Show InChI InChI=1S/C24H27NO2/c1-3-16-27-23-14-8-20(9-15-23)5-4-19-6-10-21(11-7-19)18(2)17-25-24(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 200n/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))		BDBM131047
PNG
(US8835472, 1.12)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(cc1)C(=O)NCc1ccccc1)NC(C)=O
Show InChI InChI=1S/C27H26N2O2/c1-20(29-21(2)30)18-24-12-10-22(11-13-24)8-9-23-14-16-26(17-15-23)27(31)28-19-25-6-4-3-5-7-25/h3-7,10-17,20H,18-19H2,1-2H3,(H,28,31)(H,29,30)
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n/an/a 2.30E+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))		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))		BDBM131065
PNG
(US8835472, 1.30)
Show SMILES COc1ccc(C#Cc2ccc(cc2)C(C)NC(C)=O)c(C)c1
Show InChI InChI=1S/C20H21NO2/c1-14-13-20(23-4)12-11-18(14)8-5-17-6-9-19(10-7-17)15(2)21-16(3)22/h6-7,9-13,15H,1-4H3,(H,21,22)
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n/an/a 2.10E+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))		BDBM131081
PNG
(US8835472, 2.14)
Show SMILES CCCOc1cc(ccn1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C21H24N2O2/c1-4-13-25-21-15-20(11-12-22-21)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 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))		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))		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))		BDBM131128
PNG
(US8835472, 2.61)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(OC(C)(C)C)cc1)NC(=O)C1CC1
Show InChI InChI=1S/C25H29NO2/c1-18(26-24(27)22-13-14-22)17-21-9-7-19(8-10-21)5-6-20-11-15-23(16-12-20)28-25(2,3)4/h7-12,15-16,18,22H,13-14,17H2,1-4H3,(H,26,27)
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n/an/a 2.00E+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))		BDBM131139
PNG
(US8835472, 2.72)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cnc2ccccc2c1)NC(C)=O
Show InChI InChI=1S/C22H20N2O/c1-16(24-17(2)25)13-19-10-7-18(8-11-19)9-12-20-14-21-5-3-4-6-22(21)23-15-20/h3-8,10-11,14-16H,13H2,1-2H3,(H,24,25)
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n/an/a 910n/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))		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))		BDBM131185
PNG
(US8835472, 3.9)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccnc(OCc2ccccc2)c1)NC(C)=O
Show InChI InChI=1S/C25H24N2O2/c1-19(27-20(2)28)16-22-11-8-21(9-12-22)10-13-23-14-15-26-25(17-23)29-18-24-6-4-3-5-7-24/h3-9,11-12,14-15,17,19H,16,18H2,1-2H3,(H,27,28)
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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))		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))		BDBM131207
PNG
(US8835472, 4.14)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)c2cncnc2)cc1
Show InChI InChI=1S/C24H23N3O2/c1-3-29-23-12-10-20(11-13-23)5-4-19-6-8-21(9-7-19)14-18(2)27-24(28)22-15-25-17-26-16-22/h6-13,15-18H,3,14H2,1-2H3,(H,27,28)
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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))		BDBM131208
PNG
(US8835472, 4.15)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)CS(C)(=O)=O)cc1
Show InChI InChI=1S/C22H25NO4S/c1-4-27-21-13-11-19(12-14-21)6-5-18-7-9-20(10-8-18)15-17(2)23-22(24)16-28(3,25)26/h7-14,17H,4,15-16H2,1-3H3,(H,23,24)
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n/an/a 780n/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))		BDBM131209
PNG
(US8835472, 4.16)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)c2cc[nH]n2)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)16-17(2)25-23(27)22-14-15-24-26-22/h6-15,17H,3,16H2,1-2H3,(H,24,26)(H,25,27)
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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))		BDBM131220
PNG
(US8835472, 4.27)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)CN)cc1
Show InChI InChI=1S/C21H24N2O2/c1-3-25-20-12-10-18(11-13-20)5-4-17-6-8-19(9-7-17)14-16(2)23-21(24)15-22/h6-13,16H,3,14-15,22H2,1-2H3,(H,23,24)
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n/an/a 1.33E+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
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM131241
PNG
(US8835472, 4.49)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)C(C)(C)F)cc1
Show InChI InChI=1S/C23H26FNO2/c1-5-27-21-14-12-19(13-15-21)7-6-18-8-10-20(11-9-18)16-17(2)25-22(26)23(3,4)24/h8-15,17H,5,16H2,1-4H3,(H,25,26)
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n/an/a 8.70E+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))		BDBM131245
PNG
(US8835472, 4.53)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(cc1)C(C)NC(=O)c1cncs1
Show InChI InChI=1S/C22H20N2O2S/c1-3-26-20-12-8-18(9-13-20)5-4-17-6-10-19(11-7-17)16(2)24-22(25)21-14-23-15-27-21/h6-16H,3H2,1-2H3,(H,24,25)
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n/an/a 370n/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))		BDBM131254
PNG
(US8835472, 4.62)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)C2CN(C)C(=O)C2)cc1
Show InChI InChI=1S/C25H28N2O3/c1-4-30-23-13-11-20(12-14-23)6-5-19-7-9-21(10-8-19)15-18(2)26-25(29)22-16-24(28)27(3)17-22/h7-14,18,22H,4,15-17H2,1-3H3,(H,26,29)
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n/an/a 3.70E+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))		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))		BDBM131273
PNG
(US8835472, 5.1)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)NS(=O)(=O)C2CC2)cc1
Show InChI InChI=1S/C22H25NO3S/c1-3-26-21-12-10-19(11-13-21)5-4-18-6-8-20(9-7-18)16-17(2)23-27(24,25)22-14-15-22/h6-13,17,22-23H,3,14-16H2,1-2H3
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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))		BDBM131301
PNG
(US8835472, 8.19)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N(C)c1ccccc1)NC(C)=O
Show InChI InChI=1S/C27H26N2O2/c1-20(28-21(2)30)19-24-13-11-22(12-14-24)9-10-23-15-17-25(18-16-23)27(31)29(3)26-7-5-4-6-8-26/h4-8,11-18,20H,19H2,1-3H3,(H,28,30)
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n/an/a 4.60E+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))		BDBM131325
PNG
(US8835472, 8.43)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N(C)C)NC(C)=O
Show InChI InChI=1S/C22H24N2O2/c1-16(23-17(2)25)15-20-9-7-18(8-10-20)5-6-19-11-13-21(14-12-19)22(26)24(3)4/h7-14,16H,15H2,1-4H3,(H,23,25)
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n/an/a 3.90E+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))		BDBM131326
PNG
(US8835472, 8.44)
Show SMILES CNC(=O)c1ccc(cc1)C#Cc1ccc(CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C21H22N2O2/c1-15(23-16(2)24)14-19-8-6-17(7-9-19)4-5-18-10-12-20(13-11-18)21(25)22-3/h6-13,15H,14H2,1-3H3,(H,22,25)(H,23,24)
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n/an/a 2.21E+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))		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))		BDBM131360
PNG
(US8835472, 9.27)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(OCc2cc(C)on2)cc1)NC(C)=O
Show InChI InChI=1S/C24H24N2O3/c1-17(25-19(3)27)14-22-8-6-20(7-9-22)4-5-21-10-12-24(13-11-21)28-16-23-15-18(2)29-26-23/h6-13,15,17H,14,16H2,1-3H3,(H,25,27)
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n/an/a 640n/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%