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Patent code US8962641

Compile Data Set for Download or QSAR

Found 490 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))		BDBM148657
PNG
(US8962641, 8.13)
Show SMILES CCCN(C)c1ncc(F)c(n1)N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C22H30FN5O2/c1-5-11-27(4)22-24-13-20(23)21(26-22)28-12-10-19(14-28)30-18-8-6-17(7-9-18)15(2)25-16(3)29/h6-9,13,15,19H,5,10-12,14H2,1-4H3,(H,25,29)/t15-,19+/m0/s1
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n/an/a 30n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148629
PNG
(US8962641, 7.53)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OC3CCCC3)c2Cl)cc1 |r|
Show InChI InChI=1S/C23H29ClN4O3/c1-15(27-16(2)29)17-7-9-19(10-8-17)30-20-11-12-28(13-20)22-21(24)23(26-14-25-22)31-18-5-3-4-6-18/h7-10,14-15,18,20H,3-6,11-13H2,1-2H3,(H,27,29)/t15-,20+/m0/s1
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n/an/a 32n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148653
PNG
(US8962641, 8.9)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)CC2CC2)cc1 |r|
Show InChI InChI=1S/C23H30FN5O2/c1-15(26-16(2)30)18-6-8-19(9-7-18)31-20-10-11-29(14-20)22-21(24)12-25-23(27-22)28(3)13-17-4-5-17/h6-9,12,15,17,20H,4-5,10-11,13-14H2,1-3H3,(H,26,30)/t15-,20+/m0/s1
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n/an/a 33n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148576
PNG
(US8962641, 7.1)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC3CC3)c2F)cc1 |r|
Show InChI InChI=1S/C22H27FN4O3/c1-14(26-15(2)28)17-5-7-18(8-6-17)30-19-9-10-27(11-19)21-20(23)22(25-13-24-21)29-12-16-3-4-16/h5-8,13-14,16,19H,3-4,9-12H2,1-2H3,(H,26,28)/t14-,19+/m0/s1
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n/an/a 35n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148603
PNG
(US8962641, 7.27)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OC3CCC3)c2F)cc1 |r|
Show InChI InChI=1S/C22H27FN4O3/c1-14(26-15(2)28)16-6-8-18(9-7-16)29-19-10-11-27(12-19)21-20(23)22(25-13-24-21)30-17-4-3-5-17/h6-9,13-14,17,19H,3-5,10-12H2,1-2H3,(H,26,28)/t14-,19+/m0/s1
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n/an/a 35n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148596
PNG
(US8962641, 7.20)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC3CC3)c2Cl)cc1 |r|
Show InChI InChI=1S/C22H27ClN4O3/c1-14(26-15(2)28)17-5-7-18(8-6-17)30-19-9-10-27(11-19)21-20(23)22(25-13-24-21)29-12-16-3-4-16/h5-8,13-14,16,19H,3-4,9-12H2,1-2H3,(H,26,28)/t14-,19+/m0/s1
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n/an/a 35n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148722
PNG
(US8962641, 8.79)
Show SMILES CCN(CC(F)(F)F)c1nccc(n1)N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C22H28F3N5O2/c1-4-29(14-22(23,24)25)21-26-11-9-20(28-21)30-12-10-19(13-30)32-18-7-5-17(6-8-18)15(2)27-16(3)31/h5-9,11,15,19H,4,10,12-14H2,1-3H3,(H,27,31)/t15-,19+/m0/s1
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n/an/a 37n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148638
PNG
(US8962641, 7.62)
Show SMILES CCC(=O)Nc1nc(C)c(s1)C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC3CC3)c2Cl)cc1 |r|
Show InChI InChI=1S/C28H33ClN6O4S/c1-4-22(36)34-28-33-17(3)24(40-28)26(37)32-16(2)19-7-9-20(10-8-19)39-21-11-12-35(13-21)25-23(29)27(31-15-30-25)38-14-18-5-6-18/h7-10,15-16,18,21H,4-6,11-14H2,1-3H3,(H,32,37)(H,33,34,36)/t16-,21+/m0/s1
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n/an/a 38n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148635
PNG
(US8962641, 7.59)
Show SMILES COc1c(OCC2CC2)ncnc1N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C23H30N4O4/c1-15(26-16(2)28)18-6-8-19(9-7-18)31-20-10-11-27(12-20)22-21(29-3)23(25-14-24-22)30-13-17-4-5-17/h6-9,14-15,17,20H,4-5,10-13H2,1-3H3,(H,26,28)/t15-,20+/m0/s1
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n/an/a 39n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148502
PNG
(US8962641, 2.19)
Show SMILES C[C@H](NC(=O)c1sc(NC(C)=O)nc1C)c1ccc(OC2CCN(C2)c2ncnc(OCC3CC3)c2F)cc1 |r|
Show InChI InChI=1S/C27H31FN6O4S/c1-15(31-25(36)23-16(2)32-27(39-23)33-17(3)35)19-6-8-20(9-7-19)38-21-10-11-34(12-21)24-22(28)26(30-14-29-24)37-13-18-4-5-18/h6-9,14-15,18,21H,4-5,10-13H2,1-3H3,(H,31,36)(H,32,33,35)/t15-,21?/m0/s1
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n/an/a 39n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148617
PNG
(US8962641, 7.41)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OC3CCC3)c2Cl)cc1 |r|
Show InChI InChI=1S/C22H27ClN4O3/c1-14(26-15(2)28)16-6-8-18(9-7-16)29-19-10-11-27(12-19)21-20(23)22(25-13-24-21)30-17-4-3-5-17/h6-9,13-14,17,19H,3-5,10-12H2,1-2H3,(H,26,28)/t14-,19+/m0/s1
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n/an/a 39n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148517
PNG
(US8962641, 3.1)
Show SMILES C[C@H](NC(=O)N(C)C)c1ccc(OC2CCN(C2)c2ccnc(n2)N(C)CC(F)F)cc1 |r|
Show InChI InChI=1S/C22H30F2N6O2/c1-15(26-22(31)28(2)3)16-5-7-17(8-6-16)32-18-10-12-30(13-18)20-9-11-25-21(27-20)29(4)14-19(23)24/h5-9,11,15,18-19H,10,12-14H2,1-4H3,(H,26,31)/t15-,18?/m0/s1
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n/an/a 40n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148756
PNG
(US8962641, 8.113)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(N3CCC4(CC4)C3)c2Cl)cc1 |r|
Show InChI InChI=1S/C24H30ClN5O2/c1-16(28-17(2)31)18-3-5-19(6-4-18)32-20-7-11-29(13-20)22-21(25)23(27-15-26-22)30-12-10-24(14-30)8-9-24/h3-6,15-16,20H,7-14H2,1-2H3,(H,28,31)/t16-,20+/m0/s1
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n/an/a 40n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148833
PNG
(US8962641, 8.190)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C2CCC2)cc1 |r|
Show InChI InChI=1S/C23H30FN5O2/c1-15(26-16(2)30)17-7-9-19(10-8-17)31-20-11-12-29(14-20)22-21(24)13-25-23(27-22)28(3)18-5-4-6-18/h7-10,13,15,18,20H,4-6,11-12,14H2,1-3H3,(H,26,30)/t15-,20+/m0/s1
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n/an/a 41n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148952
PNG
(US8962641, 8.309)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(NCC3CC3)c2Cl)cc1 |r|
Show InChI InChI=1S/C22H28ClN5O2/c1-14(27-15(2)29)17-5-7-18(8-6-17)30-19-9-10-28(12-19)22-20(23)21(25-13-26-22)24-11-16-3-4-16/h5-8,13-14,16,19H,3-4,9-12H2,1-2H3,(H,27,29)(H,24,25,26)/t14-,19+/m0/s1
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n/an/a 42n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148616
PNG
(US8962641, 7.40)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC3CC3(F)F)c2Cl)cc1 |r|
Show InChI InChI=1S/C22H25ClF2N4O3/c1-13(28-14(2)30)15-3-5-17(6-4-15)32-18-7-8-29(10-18)20-19(23)21(27-12-26-20)31-11-16-9-22(16,24)25/h3-6,12-13,16,18H,7-11H2,1-2H3,(H,28,30)/t13-,16?,18+/m0/s1
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n/an/a 42n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148652
PNG
(US8962641, 8.8)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N2CCCCC2)cc1 |r|
Show InChI InChI=1S/C23H30FN5O2/c1-16(26-17(2)30)18-6-8-19(9-7-18)31-20-10-13-29(15-20)22-21(24)14-25-23(27-22)28-11-4-3-5-12-28/h6-9,14,16,20H,3-5,10-13,15H2,1-2H3,(H,26,30)/t16-,20+/m0/s1
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n/an/a 45n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148499
PNG
(US8962641, 2.16)
Show SMILES CCC(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccnc(n2)N(C)CC(F)F)cc1 |r|
Show InChI InChI=1S/C22H29F2N5O2/c1-4-21(30)26-15(2)16-5-7-17(8-6-16)31-18-10-12-29(13-18)20-9-11-25-22(27-20)28(3)14-19(23)24/h5-9,11,15,18-19H,4,10,12-14H2,1-3H3,(H,26,30)/t15-,18?/m0/s1
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US Patent
n/an/a 45n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148597
PNG
(US8962641, 7.21)
Show SMILES CCCOc1ncnc(N2CC[C@H](C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c1Cl |r|
Show InChI InChI=1S/C21H27ClN4O3/c1-4-11-28-21-19(22)20(23-13-24-21)26-10-9-18(12-26)29-17-7-5-16(6-8-17)14(2)25-15(3)27/h5-8,13-14,18H,4,9-12H2,1-3H3,(H,25,27)/t14-,18+/m0/s1
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US Patent
n/an/a 45n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148527
PNG
(US8962641, 3.10)
Show SMILES C[C@H](NC(=O)N(C)C)c1ccc(OC2CCN(C2)c2ncnc(OCC3CC3)c2F)cc1 |r|
Show InChI InChI=1S/C23H30FN5O3/c1-15(27-23(30)28(2)3)17-6-8-18(9-7-17)32-19-10-11-29(12-19)21-20(24)22(26-14-25-21)31-13-16-4-5-16/h6-9,14-16,19H,4-5,10-13H2,1-3H3,(H,27,30)/t15-,19?/m0/s1
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n/an/a 45n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148878
PNG
(US8962641, 8.235)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(N3CCC4(CC4)C3)c2F)cc1 |r|
Show InChI InChI=1S/C24H30FN5O2/c1-16(28-17(2)31)18-3-5-19(6-4-18)32-20-7-11-29(13-20)22-21(25)23(27-15-26-22)30-12-10-24(14-30)8-9-24/h3-6,15-16,20H,7-14H2,1-2H3,(H,28,31)/t16-,20+/m0/s1
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n/an/a 45n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148505
PNG
(US8962641, 2.22)
Show SMILES C[C@H](NC(=O)c1cnoc1C)c1ccc(OC2CCN(C2)c2ncnc(OCC3CC3)c2F)cc1 |r|
Show InChI InChI=1S/C25H28FN5O4/c1-15(30-24(32)21-11-29-35-16(21)2)18-5-7-19(8-6-18)34-20-9-10-31(12-20)23-22(26)25(28-14-27-23)33-13-17-3-4-17/h5-8,11,14-15,17,20H,3-4,9-10,12-13H2,1-2H3,(H,30,32)/t15-,20?/m0/s1
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n/an/a 48n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148607
PNG
(US8962641, 7.31)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCCCF)c2F)cc1 |r|
Show InChI InChI=1S/C21H26F2N4O3/c1-14(26-15(2)28)16-4-6-17(7-5-16)30-18-8-10-27(12-18)20-19(23)21(25-13-24-20)29-11-3-9-22/h4-7,13-14,18H,3,8-12H2,1-2H3,(H,26,28)/t14-,18+/m0/s1
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n/an/a 49n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148547
PNG
(US8962641, 5.2)
Show SMILES C[C@H](NC(=O)C(F)F)c1ccc(OC2CCN(C2)c2ccnc(n2)N(C)CC(F)F)cc1 |r|
Show InChI InChI=1S/C21H25F4N5O2/c1-13(27-20(31)19(24)25)14-3-5-15(6-4-14)32-16-8-10-30(11-16)18-7-9-26-21(28-18)29(2)12-17(22)23/h3-7,9,13,16-17,19H,8,10-12H2,1-2H3,(H,27,31)/t13-,16?/m0/s1
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n/an/a 49n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148782
PNG
(US8962641, 8.139)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(N3CCC(C)C3)c2F)cc1 |r|
Show InChI InChI=1S/C23H30FN5O2/c1-15-8-10-28(12-15)22-21(24)23(26-14-25-22)29-11-9-20(13-29)31-19-6-4-18(5-7-19)16(2)27-17(3)30/h4-7,14-16,20H,8-13H2,1-3H3,(H,27,30)/t15?,16-,20+/m0/s1
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n/an/a 49n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148711
PNG
(US8962641, 8.68)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C2CC2)cc1 |r|
Show InChI InChI=1S/C22H28FN5O2/c1-14(25-15(2)29)16-4-8-18(9-5-16)30-19-10-11-28(13-19)21-20(23)12-24-22(26-21)27(3)17-6-7-17/h4-5,8-9,12,14,17,19H,6-7,10-11,13H2,1-3H3,(H,25,29)/t14-,19+/m0/s1
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n/an/a 50n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148530
PNG
(US8962641, 3.13)
Show SMILES C[C@H](NC(=O)Nc1ccon1)c1ccc(OC2CCN(C2)c2ncnc(OCC3CC3)c2F)cc1 |r|
Show InChI InChI=1S/C24H27FN6O4/c1-15(28-24(32)29-20-9-11-34-30-20)17-4-6-18(7-5-17)35-19-8-10-31(12-19)22-21(25)23(27-14-26-22)33-13-16-2-3-16/h4-7,9,11,14-16,19H,2-3,8,10,12-13H2,1H3,(H2,28,29,30,32)/t15-,19?/m0/s1
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n/an/a 50n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148936
PNG
(US8962641, 8.293)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(N3CC[C@H](C)C3)c2F)cc1 |r|
Show InChI InChI=1S/C23H30FN5O2/c1-15-8-10-28(12-15)22-21(24)23(26-14-25-22)29-11-9-20(13-29)31-19-6-4-18(5-7-19)16(2)27-17(3)30/h4-7,14-16,20H,8-13H2,1-3H3,(H,27,30)/t15-,16-,20+/m0/s1
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n/an/a 50n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148869
PNG
(US8962641, 8.226)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N2CCC3(CC3)C2)cc1 |r|
Show InChI InChI=1S/C24H30FN5O2/c1-16(27-17(2)31)18-3-5-19(6-4-18)32-20-7-11-29(14-20)22-21(25)13-26-23(28-22)30-12-10-24(15-30)8-9-24/h3-6,13,16,20H,7-12,14-15H2,1-2H3,(H,27,31)/t16-,20+/m0/s1
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n/an/a 52n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148953
PNG
(US8962641, 8.310)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(N3CC[C@H](C)C3)c2Cl)cc1 |r|
Show InChI InChI=1S/C23H30ClN5O2/c1-15-8-10-28(12-15)22-21(24)23(26-14-25-22)29-11-9-20(13-29)31-19-6-4-18(5-7-19)16(2)27-17(3)30/h4-7,14-16,20H,8-13H2,1-3H3,(H,27,30)/t15-,16-,20+/m0/s1
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n/an/a 52n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148937
PNG
(US8962641, 8.294)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(N3CC[C@@H](C)C3)c2F)cc1 |r|
Show InChI InChI=1S/C23H30FN5O2/c1-15-8-10-28(12-15)22-21(24)23(26-14-25-22)29-11-9-20(13-29)31-19-6-4-18(5-7-19)16(2)27-17(3)30/h4-7,14-16,20H,8-13H2,1-3H3,(H,27,30)/t15-,16+,20-/m1/s1
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n/an/a 52n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148755
PNG
(US8962641, 8.112)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(N3CCCCC3)c2Cl)cc1 |r|
Show InChI InChI=1S/C23H30ClN5O2/c1-16(27-17(2)30)18-6-8-19(9-7-18)31-20-10-13-29(14-20)23-21(24)22(25-15-26-23)28-11-4-3-5-12-28/h6-9,15-16,20H,3-5,10-14H2,1-2H3,(H,27,30)/t16-,20+/m0/s1
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n/an/a 53n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148503
PNG
(US8962641, 2.20)
Show SMILES C[C@H](NC(=O)c1cn[nH]c1)c1ccc(OC2CCN(C2)c2ncnc(OCC3CC3)c2F)cc1 |r|
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n/an/a 53n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM47172
PNG
(US8962641, 8.1 | US8962641, 8.65)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C)cc1 |r|
Show InChI InChI=1S/C20H26FN5O2/c1-13(23-14(2)27)15-5-7-16(8-6-15)28-17-9-10-26(12-17)19-18(21)11-22-20(24-19)25(3)4/h5-8,11,13,17H,9-10,12H2,1-4H3,(H,23,27)/t13-,17+/m0/s1
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n/an/a 55n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148688
PNG
(US8962641, 8.44)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(n2)N(C)CC(F)F)cc1 |r|
Show InChI InChI=1S/C21H27F2N5O2/c1-14(25-15(2)29)16-4-6-17(7-5-16)30-18-9-11-28(12-18)20-8-10-24-21(26-20)27(3)13-19(22)23/h4-8,10,14,18-19H,9,11-13H2,1-3H3,(H,25,29)/t14-,18+/m0/s1
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n/an/a 55n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148801
PNG
(US8962641, 8.158)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)CCC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C22H27F4N5O2/c1-14(28-15(2)32)16-4-6-17(7-5-16)33-18-8-10-31(13-18)20-19(23)12-27-21(29-20)30(3)11-9-22(24,25)26/h4-7,12,14,18H,8-11,13H2,1-3H3,(H,28,32)/t14-,18+/m0/s1
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n/an/a 56n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148926
PNG
(US8962641, 8.283)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N2CCC[C@H]2C)cc1 |r|
Show InChI InChI=1S/C23H30FN5O2/c1-15-5-4-11-29(15)23-25-13-21(24)22(27-23)28-12-10-20(14-28)31-19-8-6-18(7-9-19)16(2)26-17(3)30/h6-9,13,15-16,20H,4-5,10-12,14H2,1-3H3,(H,26,30)/t15-,16+,20-/m1/s1
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n/an/a 57n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148655
PNG
(US8962641, 8.11)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C2CCCC2)cc1 |r|
Show InChI InChI=1S/C24H32FN5O2/c1-16(27-17(2)31)18-8-10-20(11-9-18)32-21-12-13-30(15-21)23-22(25)14-26-24(28-23)29(3)19-6-4-5-7-19/h8-11,14,16,19,21H,4-7,12-13,15H2,1-3H3,(H,27,31)/t16-,21+/m0/s1
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n/an/a 58n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148623
PNG
(US8962641, 7.47)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OC3CCCC3)c2F)cc1 |r|
Show InChI InChI=1S/C23H29FN4O3/c1-15(27-16(2)29)17-7-9-19(10-8-17)30-20-11-12-28(13-20)22-21(24)23(26-14-25-22)31-18-5-3-4-6-18/h7-10,14-15,18,20H,3-6,11-13H2,1-2H3,(H,27,29)/t15-,20+/m0/s1
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n/an/a 58n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148769
PNG
(US8962641, 8.126)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2Cl)N(C)CC2CC2)cc1 |r|
Show InChI InChI=1S/C23H30ClN5O2/c1-15(26-16(2)30)18-6-8-19(9-7-18)31-20-10-11-29(14-20)22-21(24)12-25-23(27-22)28(3)13-17-4-5-17/h6-9,12,15,17,20H,4-5,10-11,13-14H2,1-3H3,(H,26,30)/t15-,20+/m0/s1
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n/an/a 58n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148704
PNG
(US8962641, 8.60)
Show SMILES CCN(CC)c1ncc(Cl)c(n1)N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C22H30ClN5O2/c1-5-27(6-2)22-24-13-20(23)21(26-22)28-12-11-19(14-28)30-18-9-7-17(8-10-18)15(3)25-16(4)29/h7-10,13,15,19H,5-6,11-12,14H2,1-4H3,(H,25,29)/t15-,19+/m0/s1
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n/an/a 59n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148713
PNG
(US8962641, 8.70 | US8962641, 8.82)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N2CCC(C)C2)cc1 |r|
Show InChI InChI=1S/C23H30FN5O2/c1-15-8-10-29(13-15)23-25-12-21(24)22(27-23)28-11-9-20(14-28)31-19-6-4-18(5-7-19)16(2)26-17(3)30/h4-7,12,15-16,20H,8-11,13-14H2,1-3H3,(H,26,30)/t15?,16-,20+/m0/s1
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n/an/a 59n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148747
PNG
(US8962641, 8.104)
Show SMILES CCN(CC)c1ncnc(N2CC[C@H](C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c1Cl |r|
Show InChI InChI=1S/C22H30ClN5O2/c1-5-27(6-2)21-20(23)22(25-14-24-21)28-12-11-19(13-28)30-18-9-7-17(8-10-18)15(3)26-16(4)29/h7-10,14-15,19H,5-6,11-13H2,1-4H3,(H,26,29)/t15-,19+/m0/s1
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n/an/a 59n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148545
PNG
(US8962641, 5.1)
Show SMILES CCN(C)c1nccc(n1)N1CCC(C1)Oc1ccc(cc1)[C@H](C)NC(=O)C(F)F |r|
Show InChI InChI=1S/C21H27F2N5O2/c1-4-27(3)21-24-11-9-18(26-21)28-12-10-17(13-28)30-16-7-5-15(6-8-16)14(2)25-20(29)19(22)23/h5-9,11,14,17,19H,4,10,12-13H2,1-3H3,(H,25,29)/t14-,17?/m0/s1
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n/an/a 59n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148897
PNG
(US8962641, 8.254)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N2CCCC2C)cc1 |r|
Show InChI InChI=1S/C23H30FN5O2/c1-15-5-4-11-29(15)23-25-13-21(24)22(27-23)28-12-10-20(14-28)31-19-8-6-18(7-9-19)16(2)26-17(3)30/h6-9,13,15-16,20H,4-5,10-12,14H2,1-3H3,(H,26,30)/t15?,16-,20+/m0/s1
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n/an/a 60n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148875
PNG
(US8962641, 8.232)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(N(C)C3CCC3)c2F)cc1 |r|
Show InChI InChI=1S/C23H30FN5O2/c1-15(27-16(2)30)17-7-9-19(10-8-17)31-20-11-12-29(13-20)23-21(24)22(25-14-26-23)28(3)18-5-4-6-18/h7-10,14-15,18,20H,4-6,11-13H2,1-3H3,(H,27,30)/t15-,20+/m0/s1
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n/an/a 60n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148615
PNG
(US8962641, 7.39)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC(C)(F)F)c2Cl)cc1 |r|
Show InChI InChI=1S/C21H25ClF2N4O3/c1-13(27-14(2)29)15-4-6-16(7-5-15)31-17-8-9-28(10-17)19-18(22)20(26-12-25-19)30-11-21(3,23)24/h4-7,12-13,17H,8-11H2,1-3H3,(H,27,29)/t13-,17+/m0/s1
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n/an/a 60n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148700
PNG
(US8962641, 8.56)
Show SMILES CCN(C)c1ncc(Cl)c(n1)N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C21H28ClN5O2/c1-5-26(4)21-23-12-19(22)20(25-21)27-11-10-18(13-27)29-17-8-6-16(7-9-17)14(2)24-15(3)28/h6-9,12,14,18H,5,10-11,13H2,1-4H3,(H,24,28)/t14-,18+/m0/s1
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n/an/a 60n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148954
PNG
(US8962641, 8.311)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(NCC3CCC3)c2Cl)cc1 |r|
Show InChI InChI=1S/C23H30ClN5O2/c1-15(28-16(2)30)18-6-8-19(9-7-18)31-20-10-11-29(13-20)23-21(24)22(26-14-27-23)25-12-17-4-3-5-17/h6-9,14-15,17,20H,3-5,10-13H2,1-2H3,(H,28,30)(H,25,26,27)/t15-,20+/m0/s1
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n/an/a 62n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM148497
PNG
(US8962641, 2.14)
Show SMILES CCN(C)c1nccc(n1)N1CCC(C1)Oc1ccc(cc1)[C@H](C)NC(=O)C1CC1 |r|
Show InChI InChI=1S/C23H31N5O2/c1-4-27(3)23-24-13-11-21(26-23)28-14-12-20(15-28)30-19-9-7-17(8-10-19)16(2)25-22(29)18-5-6-18/h7-11,13,16,18,20H,4-6,12,14-15H2,1-3H3,(H,25,29)/t16-,20?/m0/s1
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n/an/a 63n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 490 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%