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Patent code US8877741

Compile Data Set for Download or QSAR

Found 485 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))		BDBM138764
PNG
(US8877741, 2.90)
Show SMILES C[C@H](NC(=O)c1sc(NC(C)=O)nc1C)c1ccc(OC2CCN(C2)c2ccc(OC[C@H]3CC3(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C28H31F2N5O4S/c1-16(32-26(37)25-17(2)33-27(40-25)34-18(3)36)19-4-6-21(7-5-19)39-23-10-11-35(14-23)24-9-8-22(13-31-24)38-15-20-12-28(20,29)30/h4-9,13,16,20,23H,10-12,14-15H2,1-3H3,(H,32,37)(H,33,34,36)/t16-,20+,23?/m0/s1
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n/an/a 9n/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138632
PNG
(US8877741, 1.110)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(N3CCC(F)(F)C3)c2F)cc1 |r|
Show InChI InChI=1S/C23H27F3N4O2/c1-15(28-16(2)31)17-3-5-18(6-4-17)32-19-8-11-29(13-19)20-7-10-27-22(21(20)24)30-12-9-23(25,26)14-30/h3-7,10,15,19H,8-9,11-14H2,1-2H3,(H,28,31)/t15-,19+/m0/s1
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n/an/a 23n/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138626
PNG
(US8877741, 1.104)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(N3CCC4(CC4)C3)c2F)cc1 |r|
Show InChI InChI=1S/C25H31FN4O2/c1-17(28-18(2)31)19-3-5-20(6-4-19)32-21-8-13-29(15-21)22-7-12-27-24(23(22)26)30-14-11-25(16-30)9-10-25/h3-7,12,17,21H,8-11,13-16H2,1-2H3,(H,28,31)/t17-,21+/m0/s1
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n/an/a 24n/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138743
PNG
(US8877741, 2.69 | US8877741, 2.76)
Show SMILES C[C@H](NC(=O)c1cnn(C)c1Cl)c1ccc(OC2CCN(C2)c2ccnc(OCC3CC3)c2)cc1 |r|
Show InChI InChI=1S/C26H30ClN5O3/c1-17(30-26(33)23-14-29-31(2)25(23)27)19-5-7-21(8-6-19)35-22-10-12-32(15-22)20-9-11-28-24(13-20)34-16-18-3-4-18/h5-9,11,13-14,17-18,22H,3-4,10,12,15-16H2,1-2H3,(H,30,33)/t17-,22?/m0/s1
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n/an/a 24n/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138674
PNG
(US8877741, 2.1 | US8877741, 524)
Show SMILES C[C@H](NC(=O)c1sc(NC(C)=O)nc1C)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C28H31F2N5O4S/c1-16(32-26(37)25-17(2)33-27(40-25)34-18(3)36)19-4-6-21(7-5-19)39-23-10-11-35(14-23)24-9-8-22(13-31-24)38-15-20-12-28(20,29)30/h4-9,13,16,20,23H,10-12,14-15H2,1-3H3,(H,32,37)(H,33,34,36)/t16-,20?,23?/m0/s1
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n/an/a 25n/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138660
PNG
(US8877741, 1.138)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(NCC3CC3)c2Cl)cc1 |r|
Show InChI InChI=1S/C23H29ClN4O2/c1-15(27-16(2)29)18-5-7-19(8-6-18)30-20-10-12-28(14-20)21-9-11-25-23(22(21)24)26-13-17-3-4-17/h5-9,11,15,17,20H,3-4,10,12-14H2,1-2H3,(H,25,26)(H,27,29)/t15-,20+/m0/s1
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n/an/a 26n/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138599
PNG
(US8877741, 1.77)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ncc(OCC3CC3(F)F)cc2Cl)cc1 |r|
Show InChI InChI=1S/C23H26ClF2N3O3/c1-14(28-15(2)30)16-3-5-18(6-4-16)32-19-7-8-29(12-19)22-21(24)9-20(11-27-22)31-13-17-10-23(17,25)26/h3-6,9,11,14,17,19H,7-8,10,12-13H2,1-2H3,(H,28,30)/t14-,17?,19?/m0/s1
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n/an/a 29n/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138597
PNG
(US8877741, 1.75)
Show SMILES CC(C)COc1cc(N2CCC(C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c(F)cn1 |r|
Show InChI InChI=1S/C23H30FN3O3/c1-15(2)14-29-23-11-22(21(24)12-25-23)27-10-9-20(13-27)30-19-7-5-18(6-8-19)16(3)26-17(4)28/h5-8,11-12,15-16,20H,9-10,13-14H2,1-4H3,(H,26,28)/t16-,20?/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138893
PNG
(US8877741, 9.29)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OCC(C)(C)C)c2)cc1 |r|
Show InChI InChI=1S/C24H33N3O3/c1-17(26-18(2)28)19-6-8-21(9-7-19)30-22-11-13-27(15-22)20-10-12-25-23(14-20)29-16-24(3,4)5/h6-10,12,14,17,22H,11,13,15-16H2,1-5H3,(H,26,28)/t17-,22+/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138649
PNG
(US8877741, 1.127)
Show SMILES COc1c(OCC2CC2)nccc1N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C24H31N3O4/c1-16(26-17(2)28)19-6-8-20(9-7-19)31-21-11-13-27(14-21)22-10-12-25-24(23(22)29-3)30-15-18-4-5-18/h6-10,12,16,18,21H,4-5,11,13-15H2,1-3H3,(H,26,28)/t16-,21+/m0/s1
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n/an/a 31n/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138642
PNG
(US8877741, 1.120)
Show SMILES COc1c(OCC(C)C)nccc1N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C24H33N3O4/c1-16(2)15-30-24-23(29-5)22(10-12-25-24)27-13-11-21(14-27)31-20-8-6-19(7-9-20)17(3)26-18(4)28/h6-10,12,16-17,21H,11,13-15H2,1-5H3,(H,26,28)/t17-,21+/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138838
PNG
(US8877741, 5.3)
Show SMILES CCC(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccnc(N3CCC(F)(F)C3)c2F)cc1 |r|
Show InChI InChI=1S/C24H29F3N4O2/c1-3-21(32)29-16(2)17-4-6-18(7-5-17)33-19-9-12-30(14-19)20-8-11-28-23(22(20)25)31-13-10-24(26,27)15-31/h4-8,11,16,19H,3,9-10,12-15H2,1-2H3,(H,29,32)/t16-,19?/m0/s1
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n/an/a 34n/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138928
PNG
(US8877741, 9.64)
Show SMILES CCCOc1cc(ccn1)N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(=O)c1cncs1 |r|
Show InChI InChI=1S/C24H28N4O3S/c1-3-12-30-23-13-19(8-10-26-23)28-11-9-21(15-28)31-20-6-4-18(5-7-20)17(2)27-24(29)22-14-25-16-32-22/h4-8,10,13-14,16-17,21H,3,9,11-12,15H2,1-2H3,(H,27,29)/t17-,21+/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138734
PNG
(US8877741, 2.60)
Show SMILES C[C@H](NC(=O)C(F)F)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C23H25F4N3O3/c1-14(29-22(31)21(24)25)15-2-4-17(5-3-15)33-19-8-9-30(12-19)20-7-6-18(11-28-20)32-13-16-10-23(16,26)27/h2-7,11,14,16,19,21H,8-10,12-13H2,1H3,(H,29,31)/t14-,16?,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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138969
PNG
(US8877741, 10.16)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(N3CCCC3)c2F)cc1 |r|
Show InChI InChI=1S/C23H29FN4O2/c1-16(26-17(2)29)18-5-7-19(8-6-18)30-20-10-14-28(15-20)21-9-11-25-23(22(21)24)27-12-3-4-13-27/h5-9,11,16,20H,3-4,10,12-15H2,1-2H3,(H,26,29)/t16-,20+/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138755
PNG
(US8877741, 2.81)
Show SMILES C[C@H](NC(=O)C(F)F)c1ccc(OC2CCN(C2)c2ccnc(OCC3CC3)c2)cc1 |r|
Show InChI InChI=1S/C23H27F2N3O3/c1-15(27-23(29)22(24)25)17-4-6-19(7-5-17)31-20-9-11-28(13-20)18-8-10-26-21(12-18)30-14-16-2-3-16/h4-8,10,12,15-16,20,22H,2-3,9,11,13-14H2,1H3,(H,27,29)/t15-,20?/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138946
PNG
(US8877741, 9.82)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OCC3CC3)c2Cl)cc1 |r|
Show InChI InChI=1S/C23H28ClN3O3/c1-15(26-16(2)28)18-5-7-19(8-6-18)30-20-10-12-27(13-20)21-9-11-25-23(22(21)24)29-14-17-3-4-17/h5-9,11,15,17,20H,3-4,10,12-14H2,1-2H3,(H,26,28)/t15-,20+/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138735
PNG
(US8877741, 2.61)
Show SMILES C[C@H](NC(=O)c1cc(C)on1)c1ccc(OC2CCN(C2)c2cccc(n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C23H23F3N4O3/c1-14-12-19(29-33-14)22(31)27-15(2)16-6-8-17(9-7-16)32-18-10-11-30(13-18)21-5-3-4-20(28-21)23(24,25)26/h3-9,12,15,18H,10-11,13H2,1-2H3,(H,27,31)/t15-,18?/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138972
PNG
(US8877741, 10.19)
Show SMILES CCN(CC)c1nccc(N2CC[C@H](C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c1F |r|
Show InChI InChI=1S/C23H31FN4O2/c1-5-27(6-2)23-22(24)21(11-13-25-23)28-14-12-20(15-28)30-19-9-7-18(8-10-19)16(3)26-17(4)29/h7-11,13,16,20H,5-6,12,14-15H2,1-4H3,(H,26,29)/t16-,20+/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138880
PNG
(US8877741, 9.16)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OCC3(C)CC3)c2)cc1 |r|
Show InChI InChI=1S/C24H31N3O3/c1-17(26-18(2)28)19-4-6-21(7-5-19)30-22-9-13-27(15-22)20-8-12-25-23(14-20)29-16-24(3)10-11-24/h4-8,12,14,17,22H,9-11,13,15-16H2,1-3H3,(H,26,28)/t17-,22+/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138841
PNG
(US8877741, 5.6)
Show SMILES CCCNc1nccc(N2CCC(C2)Oc2ccc(cc2)[C@H](C)NC(=O)N(C)C)c1F |r|
Show InChI InChI=1S/C23H32FN5O2/c1-5-12-25-22-21(24)20(10-13-26-22)29-14-11-19(15-29)31-18-8-6-17(7-9-18)16(2)27-23(30)28(3)4/h6-10,13,16,19H,5,11-12,14-15H2,1-4H3,(H,25,26)(H,27,30)/t16-,19?/m0/s1
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n/an/a 36n/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138661
PNG
(US8877741, 1.139)
Show SMILES COc1c(OCCC2CC2)nccc1N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C25H33N3O4/c1-17(27-18(2)29)20-6-8-21(9-7-20)32-22-11-14-28(16-22)23-10-13-26-25(24(23)30-3)31-15-12-19-4-5-19/h6-10,13,17,19,22H,4-5,11-12,14-16H2,1-3H3,(H,27,29)/t17-,22+/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138794
PNG
(US8877741, 2.120)
Show SMILES COCC(=O)Nc1nc(C)c(s1)C(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C29H33F2N5O5S/c1-17(33-27(38)26-18(2)34-28(42-26)35-25(37)16-39-3)19-4-6-21(7-5-19)41-23-10-11-36(14-23)24-9-8-22(13-32-24)40-15-20-12-29(20,30)31/h4-9,13,17,20,23H,10-12,14-16H2,1-3H3,(H,33,38)(H,34,35,37)/t17-,20?,23?/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138864
PNG
(US8877741, 714 | US8877741, 9.1)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OC3CCC3)c2)cc1 |r|
Show InChI InChI=1S/C23H29N3O3/c1-16(25-17(2)27)18-6-8-21(9-7-18)28-22-11-13-26(15-22)19-10-12-24-23(14-19)29-20-4-3-5-20/h6-10,12,14,16,20,22H,3-5,11,13,15H2,1-2H3,(H,25,27)/t16-,22+/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138749
PNG
(US8877741, 2.75)
Show SMILES COCC(=O)Nc1nc(C)c(s1)C(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccnc(OCC3CC3)c2)cc1 |r|
Show InChI InChI=1S/C29H35N5O5S/c1-18(31-28(36)27-19(2)32-29(40-27)33-25(35)17-37-3)21-6-8-23(9-7-21)39-24-11-13-34(15-24)22-10-12-30-26(14-22)38-16-20-4-5-20/h6-10,12,14,18,20,24H,4-5,11,13,15-17H2,1-3H3,(H,31,36)(H,32,33,35)/t18-,24?/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138825
PNG
(US8877741, 4.1 | US8877741, 675)
Show SMILES COC(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccc(OC[C@H]3CC3(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C23H27F2N3O4/c1-15(27-22(29)30-2)16-3-5-18(6-4-16)32-20-9-10-28(13-20)21-8-7-19(12-26-21)31-14-17-11-23(17,24)25/h3-8,12,15,17,20H,9-11,13-14H2,1-2H3,(H,27,29)/t15-,17+,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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138640
PNG
(US8877741, 1.118)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccc(OC[C@H]3CC3(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C23H27F2N3O3/c1-15(27-16(2)29)17-3-5-19(6-4-17)31-21-9-10-28(13-21)22-8-7-20(12-26-22)30-14-18-11-23(18,24)25/h3-8,12,15,18,21H,9-11,13-14H2,1-2H3,(H,27,29)/t15-,18+,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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138892
PNG
(US8877741, 9.28)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OC3CCCC3)c2)cc1 |r|
Show InChI InChI=1S/C24H31N3O3/c1-17(26-18(2)28)19-7-9-22(10-8-19)29-23-12-14-27(16-23)20-11-13-25-24(15-20)30-21-5-3-4-6-21/h7-11,13,15,17,21,23H,3-6,12,14,16H2,1-2H3,(H,26,28)/t17-,23+/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138917
PNG
(US8877741, 9.53)
Show SMILES CCCOc1nccc(N2CC[C@H](C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c1F |r|
Show InChI InChI=1S/C22H28FN3O3/c1-4-13-28-22-21(23)20(9-11-24-22)26-12-10-19(14-26)29-18-7-5-17(6-8-18)15(2)25-16(3)27/h5-9,11,15,19H,4,10,12-14H2,1-3H3,(H,25,27)/t15-,19+/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138871
PNG
(US8877741, 9.7)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OC3CCCCC3)c2)cc1 |r|
Show InChI InChI=1S/C25H33N3O3/c1-18(27-19(2)29)20-8-10-23(11-9-20)30-24-13-15-28(17-24)21-12-14-26-25(16-21)31-22-6-4-3-5-7-22/h8-12,14,16,18,22,24H,3-7,13,15,17H2,1-2H3,(H,27,29)/t18-,24+/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138767
PNG
(US8877741, 2.93)
Show SMILES C[C@H](NC(=O)c1cn[nH]c1)c1ccc(OC2CCN(C2)c2ccc(OC[C@H]3CC3(F)F)cn2)cc1 |r|
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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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138924
PNG
(US8877741, 9.60)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OCC3CC3(F)F)c2C)cc1 |r|
Show InChI InChI=1S/C24H29F2N3O3/c1-15-22(8-10-27-23(15)31-14-19-12-24(19,25)26)29-11-9-21(13-29)32-20-6-4-18(5-7-20)16(2)28-17(3)30/h4-8,10,16,19,21H,9,11-14H2,1-3H3,(H,28,30)/t16-,19?,21+/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138879
PNG
(US8877741, 9.15)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OCC3CCC3)c2)cc1 |r|
Show InChI InChI=1S/C24H31N3O3/c1-17(26-18(2)28)20-6-8-22(9-7-20)30-23-11-13-27(15-23)21-10-12-25-24(14-21)29-16-19-4-3-5-19/h6-10,12,14,17,19,23H,3-5,11,13,15-16H2,1-2H3,(H,26,28)/t17-,23+/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138866
PNG
(US8877741, 9.2)
Show SMILES CC(C)COc1cc(ccn1)N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C23H31N3O3/c1-16(2)15-28-23-13-20(9-11-24-23)26-12-10-22(14-26)29-21-7-5-19(6-8-21)17(3)25-18(4)27/h5-9,11,13,16-17,22H,10,12,14-15H2,1-4H3,(H,25,27)/t17-,22+/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138643
PNG
(US8877741, 1.121)
Show SMILES CCCOc1nccc(N2CC[C@H](C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c1OC |r|
Show InChI InChI=1S/C23H31N3O4/c1-5-14-29-23-22(28-4)21(10-12-24-23)26-13-11-20(15-26)30-19-8-6-18(7-9-19)16(2)25-17(3)27/h6-10,12,16,20H,5,11,13-15H2,1-4H3,(H,25,27)/t16-,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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138654
PNG
(US8877741, 1.132)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(N3CCC(F)(F)C3)c2Cl)cc1 |r|
Show InChI InChI=1S/C23H27ClF2N4O2/c1-15(28-16(2)31)17-3-5-18(6-4-17)32-19-8-11-29(13-19)20-7-10-27-22(21(20)24)30-12-9-23(25,26)14-30/h3-7,10,15,19H,8-9,11-14H2,1-2H3,(H,28,31)/t15-,19+/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138630
PNG
(US8877741, 1.108)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(N(C)CC(F)F)c2F)cc1 |r|
Show InChI InChI=1S/C22H27F3N4O2/c1-14(27-15(2)30)16-4-6-17(7-5-16)31-18-9-11-29(12-18)19-8-10-26-22(21(19)25)28(3)13-20(23)24/h4-8,10,14,18,20H,9,11-13H2,1-3H3,(H,27,30)/t14-,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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138915
PNG
(US8877741, 9.51)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OCC3CC3)c2F)cc1 |r|
Show InChI InChI=1S/C23H28FN3O3/c1-15(26-16(2)28)18-5-7-19(8-6-18)30-20-10-12-27(13-20)21-9-11-25-23(22(21)24)29-14-17-3-4-17/h5-9,11,15,17,20H,3-4,10,12-14H2,1-2H3,(H,26,28)/t15-,20+/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138795
PNG
(US8877741, 2.121)
Show SMILES C[C@H](NC(=O)c1cnco1)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C25H26F2N4O4/c1-16(30-24(32)22-12-28-15-34-22)17-2-4-19(5-3-17)35-21-8-9-31(13-21)23-7-6-20(11-29-23)33-14-18-10-25(18,26)27/h2-7,11-12,15-16,18,21H,8-10,13-14H2,1H3,(H,30,32)/t16-,18?,21?/m0/s1
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n/an/a 43n/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138636
PNG
(US8877741, 1.114 | US8877741, 1.147)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(NCC3CC3)c2F)cc1 |r|
Show InChI InChI=1S/C23H29FN4O2/c1-15(27-16(2)29)18-5-7-19(8-6-18)30-20-10-12-28(14-20)21-9-11-25-23(22(21)24)26-13-17-3-4-17/h5-9,11,15,17,20H,3-4,10,12-14H2,1-2H3,(H,25,26)(H,27,29)/t15-,20+/m0/s1
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n/an/a 43n/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138926
PNG
(US8877741, 9.62)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OCC3CC3(F)F)c2F)cc1 |r|
Show InChI InChI=1S/C23H26F3N3O3/c1-14(28-15(2)30)16-3-5-18(6-4-16)32-19-8-10-29(12-19)20-7-9-27-22(21(20)24)31-13-17-11-23(17,25)26/h3-7,9,14,17,19H,8,10-13H2,1-2H3,(H,28,30)/t14-,17?,19+/m0/s1
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n/an/a 44n/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM139017
PNG
(US8877741, 14.2)
Show SMILES COc1c(OCC2CC2(F)F)nccc1N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C24H29F2N3O4/c1-15(28-16(2)30)17-4-6-19(7-5-17)33-20-9-11-29(13-20)21-8-10-27-23(22(21)31-3)32-14-18-12-24(18,25)26/h4-8,10,15,18,20H,9,11-14H2,1-3H3,(H,28,30)/t15-,18?,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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138887
PNG
(US8877741, 9.23)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OCC3CC3C)c2)cc1 |r|
Show InChI InChI=1S/C24H31N3O3/c1-16-12-20(16)15-29-24-13-21(8-10-25-24)27-11-9-23(14-27)30-22-6-4-19(5-7-22)17(2)26-18(3)28/h4-8,10,13,16-17,20,23H,9,11-12,14-15H2,1-3H3,(H,26,28)/t16?,17-,20?,23+/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138937
PNG
(US8877741, 9.73)
Show SMILES CCC(=O)Nc1nc(C)c(s1)C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OCC3CC3)c2Cl)cc1 |r|
Show InChI InChI=1S/C29H34ClN5O4S/c1-4-24(36)34-29-33-18(3)26(40-29)27(37)32-17(2)20-7-9-21(10-8-20)39-22-12-14-35(15-22)23-11-13-31-28(25(23)30)38-16-19-5-6-19/h7-11,13,17,19,22H,4-6,12,14-16H2,1-3H3,(H,32,37)(H,33,34,36)/t17-,22+/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138935
PNG
(US8877741, 9.71)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OCC3CC3(F)F)c2Cl)cc1 |r|
Show InChI InChI=1S/C23H26ClF2N3O3/c1-14(28-15(2)30)16-3-5-18(6-4-16)32-19-8-10-29(12-19)20-7-9-27-22(21(20)24)31-13-17-11-23(17,25)26/h3-7,9,14,17,19H,8,10-13H2,1-2H3,(H,28,30)/t14-,17?,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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138948
PNG
(US8877741, 9.84)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OC3CCCC3)c2F)cc1 |r|
Show InChI InChI=1S/C24H30FN3O3/c1-16(27-17(2)29)18-7-9-20(10-8-18)30-21-12-14-28(15-21)22-11-13-26-24(23(22)25)31-19-5-3-4-6-19/h7-11,13,16,19,21H,3-6,12,14-15H2,1-2H3,(H,27,29)/t16-,21+/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138967
PNG
(US8877741, 10.14)
Show SMILES CCN(C)c1nccc(N2CC[C@H](C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c1F |r|
Show InChI InChI=1S/C22H29FN4O2/c1-5-26(4)22-21(23)20(10-12-24-22)27-13-11-19(14-27)29-18-8-6-17(7-9-18)15(2)25-16(3)28/h6-10,12,15,19H,5,11,13-14H2,1-4H3,(H,25,28)/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138800
PNG
(US8877741, 2.126)
Show SMILES C[C@H](NC(=O)c1cnco1)c1ccc(OC2CCN(C2)c2ccnc(N3CCC(F)(F)C3)c2F)cc1 |r|
Show InChI InChI=1S/C25H26F3N5O3/c1-16(31-24(34)21-12-29-15-35-21)17-2-4-18(5-3-17)36-19-7-10-32(13-19)20-6-9-30-23(22(20)26)33-11-8-25(27,28)14-33/h2-6,9,12,15-16,19H,7-8,10-11,13-14H2,1H3,(H,31,34)/t16-,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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138738
PNG
(US8877741, 2.64)
Show SMILES C[C@H](NC(=O)c1cc[nH]n1)c1ccc(OC2CCN(C2)c2cccc(n2)C(F)(F)F)cc1 |r|
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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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM138523
PNG
(US8877741, 1.1)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C23H27F2N3O3/c1-15(27-16(2)29)17-3-5-19(6-4-17)31-21-9-10-28(13-21)22-8-7-20(12-26-22)30-14-18-11-23(18,24)25/h3-8,12,15,18,21H,9-11,13-14H2,1-2H3,(H,27,29)/t15-,18?,21?/m0/s1
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n/an/a 46n/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 485 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%