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There are 10 purchasable compounds for target: Acetyl-CoA carboxylase 1

Wt: 327.4
BDBM50075317
Wt: 329.4
BDBM50132614
Wt: 359.9
BDBM50132615
Wt: 341.8
BDBM50132616
Wt: 325.4
BDBM50132617
Wt: 323.3
BDBM50132618
Wt: 485.6
BDBM50189617
Wt: 424.2
BDBM50209010
Wt: 389.4
BDBM50314914
Wt: 375.4
BDBM50314915
Wt: 308.3
BDBM50446513
Wt: 407.4
BDBM50439637
Wt: 360.4
BDBM50069757
Wt: 405.4
BDBM50034371
Wt: 440.5
BDBM50127712

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50075317,50132614,50132615,50132616,50132617,50132618,50189617,50209010,50314914,50314915,50446513,50439637,50069757,50034371,50127712   
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 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM50132614
PNG
(2-(1-Ethoxyimino-propyl)-3-hydroxy-5-(2,4,6-trimet...)
Show SMILES CCO\N=C(/CC)C1C(=O)CC(CC1=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,20H,6-7,10-11H2,1-5H3/b21-16+
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n/an/a 4.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against rat heart ACC by the carboxylation of acetyl-CoA with [14C]-HCO3- to form [14C]-malonyl CoA; 18-40 u...


Bioorg Med Chem Lett 13: 3237-42 (2003)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50069757
PNG
(CHEMBL3407545)
Show SMILES CCOC(=O)N1CCN(CC1)c1nc(C)nc2sc3CCCCc3c12
Show InChI InChI=1S/C18H24N4O2S/c1-3-24-18(23)22-10-8-21(9-11-22)16-15-13-6-4-5-7-14(13)25-17(15)20-12(2)19-16/h3-11H2,1-2H3
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n/an/a 2.30E+4n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant His-tagged ACC1 assessed as malonyl-CoA level


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM50132616
PNG
(2-{1-[(E)-(E)-3-Chloro-allyloxyimino]-propyl}-3-hy...)
Show SMILES CC\C(=N/OC\C=C\Cl)C1C(=O)CC(CC1=O)C1CCOCC1
Show InChI InChI=1S/C17H24ClNO4/c1-2-14(19-23-7-3-6-18)17-15(20)10-13(11-16(17)21)12-4-8-22-9-5-12/h3,6,12-13,17H,2,4-5,7-11H2,1H3/b6-3+,19-14+
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against rat heart ACC by the carboxylation of acetyl-CoA with [14C]-HCO3- to form [14C]-malonyl CoA; 18-40 u...


Bioorg Med Chem Lett 13: 3237-42 (2003)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM50075317
PNG
(2-{1-[(E)-Ethoxyimino]-butyl}-5-(2-ethylsulfanyl-p...)
Show SMILES CCC\C(=N/OCC)C1C(=O)CC(CC(C)SCC)CC1=O
Show InChI InChI=1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,17H,5-11H2,1-4H3/b18-14+
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against rat heart ACC by the carboxylation of acetyl-CoA with [14C]-HCO3- to form [14C]-malonyl CoA; 18-40 u...


Bioorg Med Chem Lett 13: 3237-42 (2003)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM50132617
PNG
(2-{1-[(E)-Ethoxyimino]-butyl}-3-hydroxy-5-(tetrahy...)
Show SMILES CCC\C(=N/OCC)C1C(=O)CC(CC1=O)C1CCCSC1
Show InChI InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,17H,3-11H2,1-2H3/b18-14+
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n/an/a 4.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against rat heart ACC by the carboxylation of acetyl-CoA with [14C]-HCO3- to form [14C]-malonyl CoA; 18-40 u...


Bioorg Med Chem Lett 13: 3237-42 (2003)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM50132618
PNG
(3-{1-[(E)-Allyloxyimino]-butyl}-4-hydroxy-6,6-dime...)
Show SMILES CCC\C(=N/OCC=C)C1C(=O)CC(C)(C)C(C(=O)OC)C1=O
Show InChI InChI=1S/C17H25NO5/c1-6-8-11(18-23-9-7-2)13-12(19)10-17(3,4)14(15(13)20)16(21)22-5/h7,13-14H,2,6,8-10H2,1,3-5H3/b18-11+
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against rat heart ACC by the carboxylation of acetyl-CoA with [14C]-HCO3- to form [14C]-malonyl CoA


Bioorg Med Chem Lett 13: 3237-42 (2003)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(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 410n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1 expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
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 53n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ACC1


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(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 410n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(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 6.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ACC1


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
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 55n/an/an/an/an/an/a



Torrent Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat acetyl-CoA carboxylase 1


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
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 92n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACC1 after 7 mins by liquid scintillation counter


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
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 163n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACC1 after 7 mins by liquid scintillation counter


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
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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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACC1 after 7 mins by liquid scintillation counter


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
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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Taisho Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat ACC1


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(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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Taisho Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
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 590n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged rat recombinant ACC1 expressed in high five insect cells by ATP consumption assay


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(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 910n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC1 expressed in high five insect cells by ATP consumption assay


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
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 230n/an/an/an/an/an/a



AstraZeneca Research and Development

Curated by ChEMBL


Assay Description
Inhibition of obese Zucker rat ACC1 assessed as reduction in hepatic malonyl-coA level preincubated for 15 mins measured after 1.5 hrs using Malachit...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(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 550n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC1


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(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 19n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ACC1 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(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 4.28E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ACC1 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(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 27n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1 assessed as incorporation of [14C]bicarbonate into [14C]malonyl-CoA by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
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 24n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant ACC1 assessed as incorporation of [14C]bicarbonate into [14C]malonyl-CoA by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(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 98n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1 after 1 hr by transcreener assay


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(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 111n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1 after 1 hr by transcreener assay


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
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 140n/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil...


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

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
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 17n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant ACC1


Citation and Details
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM50132615
PNG
(2-{1-[(E)-(E)-3-Chloro-allyloxyimino]-propyl}-5-(2...)
Show SMILES CCSC(C)CC1CC(=O)C(\C(CC)=N\OC\C=C\Cl)C(=O)C1
Show InChI InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,17H,4-5,8-11H2,1-3H3/b7-6+,19-14+
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n/an/a 4.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against rat heart ACC by the carboxylation of acetyl-CoA with [14C]-HCO3- to form [14C]-malonyl CoA; 18-40 u...


Bioorg Med Chem Lett 13: 3237-42 (2003)

More data for this
Ligand-Target Pair