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There are 6 purchasable compounds for target: ACC-beta

Wt: 485.6
BDBM50189617
Purchase
Wt: 424.2
BDBM50209010
Purchase
Wt: 389.4
BDBM50314914
Purchase
Wt: 375.4
BDBM50314915
Purchase
Wt: 451.5
BDBM50350730
Purchase
Wt: 308.3
BDBM50446513
Purchase
Wt: 407.4
BDBM50439637
Purchase
Wt: 315.1
BDBM131682
Purchase
Wt: 405.4
BDBM50034371
Wt: 440.5
BDBM50127712

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50189617,50209010,50314914,50314915,50350730,50446513,50439637,131682,50034371,50127712   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50189617
PNG
((3R)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbo...)
Show SMILES O=C([C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C30H35N3O3/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2/t24-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in baculovirus/sf9 system


J Med Chem 49: 3770-3 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50439637
PNG
(CHEMBL2419601)
Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c2n1
Show InChI InChI=1S/C22H25N5O3/c1-21(2,3)27-13-18-19(25-27)17(28)11-22(30-18)6-8-26(9-7-22)20(29)14-4-5-16-15(10-14)12-23-24-16/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,23,24)
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n/an/a 11n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ACC2


J Med Chem 58: 525-36 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50189617
PNG
((3R)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbo...)
Show SMILES O=C([C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C30H35N3O3/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2/t24-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2


Bioorg Med Chem Lett 16: 6078-81 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50189617
PNG
((3R)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbo...)
Show SMILES O=C([C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C30H35N3O3/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2/t24-/m1/s1
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n/an/a 194n/an/an/an/an/an/a



Taisho Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2


Bioorg Med Chem Lett 19: 6645-8 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50314914
PNG
(1'-(1H-indazole-7-carbonyl)-6,7-dimethylspiro[chro...)
Show SMILES Cc1cc2OC3(CCN(CC3)C(=O)c3cccc4cn[nH]c34)CC(=O)c2cc1C
Show InChI InChI=1S/C23H23N3O3/c1-14-10-18-19(27)12-23(29-20(18)11-15(14)2)6-8-26(9-7-23)22(28)17-5-3-4-16-13-24-25-21(16)17/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,25)
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n/an/a 400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50314915
PNG
(1'-(1H-indazol-7-ylcarbonyl)-6-methylspiro[chromen...)
Show SMILES Cc1ccc2OC3(CCN(CC3)C(=O)c3cccc4cn[nH]c34)CC(=O)c2c1
Show InChI InChI=1S/C22H21N3O3/c1-14-5-6-19-17(11-14)18(26)12-22(28-19)7-9-25(10-8-22)21(27)16-4-2-3-15-13-23-24-20(15)16/h2-6,11,13H,7-10,12H2,1H3,(H,23,24)
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n/an/a 641n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50189617
PNG
((3R)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbo...)
Show SMILES O=C([C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C30H35N3O3/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2/t24-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50350730
PNG
(CHEMBL1818185)
Show SMILES O=C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1cc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C28H25N3O3/c32-28(23-17-25(21-6-2-1-3-7-21)29-24-9-5-4-8-22(23)24)31-14-12-30(13-15-31)18-20-10-11-26-27(16-20)34-19-33-26/h1-11,16-17H,12-15,18-19H2
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n/an/a 3.60E+3n/an/an/an/an/an/a



AstraZeneca Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...


Bioorg Med Chem 19: 3039-53 (2011)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50189617
PNG
((3R)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbo...)
Show SMILES O=C([C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C30H35N3O3/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2/t24-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC2


Bioorg Med Chem Lett 21: 6314-8 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50439637
PNG
(CHEMBL2419601)
Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c2n1
Show InChI InChI=1S/C22H25N5O3/c1-21(2,3)27-13-18-19(25-27)17(28)11-22(30-18)6-8-26(9-7-22)20(29)14-4-5-16-15(10-14)12-23-24-16/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,23,24)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ACC2 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...


J Med Chem 56: 7110-9 (2013)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50446513
PNG
(CHEMBL3110094)
Show SMILES CCCOc1ccc(cc1)-c1ccc(cc1)-c1noc(CC)n1
Show InChI InChI=1S/C19H20N2O2/c1-3-13-22-17-11-9-15(10-12-17)14-5-7-16(8-6-14)19-20-18(4-2)23-21-19/h5-12H,3-4,13H2,1-2H3
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n/an/a 841n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis


J Med Chem 56: 10132-41 (2013)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM131682
PNG
(US8835472, 28.1)
Show SMILES C[C@H](NC(=O)C1CC1)c1ccc(I)cc1
Show InChI InChI=1S/C12H14INO/c1-8(14-12(15)10-2-3-10)9-4-6-11(13)7-5-9/h4-8,10H,2-3H2,1H3,(H,14,15)/t8-/m0/s1
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US Patent
n/an/a 2.44E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50209010
PNG
(3,5-dichloro-2-hydroxy-N-(4-methoxy-biphenyl-3-yl)...)
Show SMILES COc1ccc(cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O)-c1ccccc1
Show InChI InChI=1S/C19H15Cl2NO4S/c1-26-17-8-7-13(12-5-3-2-4-6-12)9-16(17)22-27(24,25)18-11-14(20)10-15(21)19(18)23/h2-11,22-23H,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ACC2


Bioorg Med Chem Lett 17: 3208-11 (2007)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50446513
PNG
(CHEMBL3110094)
Show SMILES CCCOc1ccc(cc1)-c1ccc(cc1)-c1noc(CC)n1
Show InChI InChI=1S/C19H20N2O2/c1-3-13-22-17-11-9-15(10-12-17)14-5-7-16(8-6-14)19-20-18(4-2)23-21-19/h5-12H,3-4,13H2,1-2H3
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n/an/a 359n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ACC2 expressed in CHOK1 cells assessed as acetylCoA to malonylCoA conversion after 1 hr by LC-MS/MS analysis


J Med Chem 56: 10132-41 (2013)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50034371
PNG
(CHEMBL3359265)
Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4nc(C)[nH]c4c3)CC(=O)c12
Show InChI InChI=1S/C23H27N5O2/c1-14(2)28-21-17(13-24-28)11-23(12-20(21)29)6-8-27(9-7-23)22(30)16-4-5-18-19(10-16)26-15(3)25-18/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,25,26)
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n/an/a 33n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 assessed as incorporation of [14C]bicarbonate into [14C]malonyl-CoA by radiometric assay


J Med Chem 57: 10512-26 (2014)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50034371
PNG
(CHEMBL3359265)
Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4nc(C)[nH]c4c3)CC(=O)c12
Show InChI InChI=1S/C23H27N5O2/c1-14(2)28-21-17(13-24-28)11-23(12-20(21)29)6-8-27(9-7-23)22(30)16-4-5-18-19(10-16)26-15(3)25-18/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,25,26)
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n/an/a 45n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 after 1 hr by transcreener assay


J Med Chem 57: 10512-26 (2014)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50439637
PNG
(CHEMBL2419601)
Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c2n1
Show InChI InChI=1S/C22H25N5O3/c1-21(2,3)27-13-18-19(25-27)17(28)11-22(30-18)6-8-26(9-7-22)20(29)14-4-5-16-15(10-14)12-23-24-16/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,23,24)
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n/an/a 9.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 after 1 hr by transcreener assay


J Med Chem 57: 10512-26 (2014)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50127712
PNG
(CHEMBL3629718)
Show SMILES C[C@@H]1CC2(CN1C(=O)OCC(C)(C)C)CCN(C(C)C2)C(=O)c1cc(C)c2[nH]ncc2c1
Show InChI InChI=1/C25H36N4O3/c1-16-9-19(10-20-13-26-27-21(16)20)22(30)28-8-7-25(11-17(28)2)12-18(3)29(14-25)23(31)32-15-24(4,5)6/h9-10,13,17-18H,7-8,11-12,14-15H2,1-6H3,(H,26,27)/t17?,18-,25?/s2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5352-6 (2015)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50189617
PNG
((3R)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbo...)
Show SMILES O=C([C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C30H35N3O3/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2/t24-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ACC2


J Med Chem 49: 3770-3 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)