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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 327.4
BDBM50075317
Purchase
Wt: 329.4
BDBM50132614
Purchase
Wt: 325.4
BDBM50132617
Wt: 323.3
BDBM50132618
Purchase
Wt: 330.4
BDBM50189616
Wt: 328.4
BDBM50189632
Wt: 316.3
BDBM50195018
Wt: 316.3
BDBM50195028
Wt: 302.3
BDBM50195035
Wt: 316.3
BDBM50195050
Wt: 286.3
BDBM50195025
Wt: 322.4
BDBM50446512
Wt: 308.3
BDBM50446513
Purchase
Wt: 316.3
BDBM50446529
Wt: 328.4
BDBM97616
Displayed 1 to 15 (of 539 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 35 hits in this display   
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
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)
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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3.00E+5n/an/an/an/an/an/an/an/a



Tunghai Christian University

Curated by ChEMBL


Assay Description
Compound was evaluated for competitive inhibition of 4-hydroxyphenylpyruvate dioxygenase (HPPD) (complete inhibition was observed at a concentration ...


Bioorg Med Chem Lett 9: 551-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00036-0
BindingDB Entry DOI: 10.7270/Q2XD10VQ
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50446512
PNG
(CHEMBL3110095)
Show SMILES CCCOc1ccc(c(C)c1)-c1ccc(cc1)-c1noc(CC)n1
Show InChI InChI=1S/C20H22N2O2/c1-4-12-23-17-10-11-18(14(3)13-17)15-6-8-16(9-7-15)20-21-19(5-2)24-22-20/h6-11,13H,4-5,12H2,1-3H3
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n/an/a 103n/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)


Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50446512
PNG
(CHEMBL3110095)
Show SMILES CCCOc1ccc(c(C)c1)-c1ccc(cc1)-c1noc(CC)n1
Show InChI InChI=1S/C20H22N2O2/c1-4-12-23-17-10-11-18(14(3)13-17)15-6-8-16(9-7-15)20-21-19(5-2)24-22-20/h6-11,13H,4-5,12H2,1-3H3
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n/an/a 126n/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)


Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K
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)


Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50195018
PNG
(CHEMBL223371 | N-(4-(2-(4-methoxyphenoxy)thiazol-5...)
Show SMILES COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C16H16N2O3S/c1-11(18-12(2)19)4-9-15-10-17-16(22-15)21-14-7-5-13(20-3)6-8-14/h5-8,10-11H,1-3H3,(H,18,19)
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n/an/a 470n/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)


Article DOI: 10.1016/j.bmcl.2006.08.100
BindingDB Entry DOI: 10.7270/Q2RJ4J4W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50446529
PNG
(CHEMBL3110080)
Show SMILES CCc1nc(no1)N1CCN(C[C@@H]1C)c1ccc(OC)cc1C
Show InChI InChI=1S/C17H24N4O2/c1-5-16-18-17(19-23-16)21-9-8-20(11-13(21)3)15-7-6-14(22-4)10-12(15)2/h6-7,10,13H,5,8-9,11H2,1-4H3/t13-/m0/s1
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n/an/a 486n/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)


Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM97616
PNG
(CHEMBL1630720 | US8470841, 45)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC=O)cc2)cn1
Show InChI InChI=1S/C19H24N2O3/c1-14(2)23-19-11-10-18(12-20-19)24-17-8-6-16(7-9-17)5-4-15(3)21-13-22/h6-15H,4-5H2,1-3H3,(H,21,22)
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n/an/a 670n/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)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM97616
PNG
(CHEMBL1630720 | US8470841, 45)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC=O)cc2)cn1
Show InChI InChI=1S/C19H24N2O3/c1-14(2)23-19-11-10-18(12-20-19)24-17-8-6-16(7-9-17)5-4-15(3)21-13-22/h6-15H,4-5H2,1-3H3,(H,21,22)
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n/an/a 670n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.


US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
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)


Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50195028
PNG
(CHEMBL373771 | N-(4-(2-(3-methoxyphenoxy)thiazol-5...)
Show SMILES COc1cccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c1
Show InChI InChI=1S/C16H16N2O3S/c1-11(18-12(2)19)7-8-15-10-17-16(22-15)21-14-6-4-5-13(9-14)20-3/h4-6,9-11H,1-3H3,(H,18,19)
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n/an/a 850n/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)


Article DOI: 10.1016/j.bmcl.2006.08.100
BindingDB Entry DOI: 10.7270/Q2RJ4J4W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50189632
PNG
(CHEMBL408331 | N-{3-[2-(4-isopropyl-phenoxy)-thiaz...)
Show SMILES CC(NC(C)=O)C#Cc1cnc(Oc2ccc(cc2)C(C)C)s1
Show InChI InChI=1S/C18H20N2O2S/c1-12(2)15-6-8-16(9-7-15)22-18-19-11-17(23-18)10-5-13(3)20-14(4)21/h6-9,11-13H,1-4H3,(H,20,21)
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n/an/a 1.25E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1 expressed in HEK293 cells


J Med Chem 49: 3770-3 (2006)


Article DOI: 10.1021/jm060484v
BindingDB Entry DOI: 10.7270/Q2M61M20
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50195050
PNG
(CHEMBL220437 | N-(4-(2-(2-methoxyphenoxy)thiazol-5...)
Show SMILES COc1ccccc1Oc1ncc(s1)C#CC(C)NC(C)=O
Show InChI InChI=1S/C16H16N2O3S/c1-11(18-12(2)19)8-9-13-10-17-16(22-13)21-15-7-5-4-6-14(15)20-3/h4-7,10-11H,1-3H3,(H,18,19)
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n/an/a 1.32E+3n/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)


Article DOI: 10.1016/j.bmcl.2006.08.100
BindingDB Entry DOI: 10.7270/Q2RJ4J4W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50446512
PNG
(CHEMBL3110095)
Show SMILES CCCOc1ccc(c(C)c1)-c1ccc(cc1)-c1noc(CC)n1
Show InChI InChI=1S/C20H22N2O2/c1-4-12-23-17-10-11-18(14(3)13-17)15-6-8-16(9-7-15)20-21-19(5-2)24-22-20/h6-11,13H,4-5,12H2,1-3H3
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n/an/a 1.46E+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


J Med Chem 56: 10132-41 (2013)


Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50195035
PNG
(CHEMBL222616 | N-(4-(2-(4-hydroxyphenoxy)thiazol-5...)
Show SMILES CC(NC(C)=O)C#Cc1cnc(Oc2ccc(O)cc2)s1
Show InChI InChI=1S/C15H14N2O3S/c1-10(17-11(2)18)3-8-14-9-16-15(21-14)20-13-6-4-12(19)5-7-13/h4-7,9-10,19H,1-2H3,(H,17,18)
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n/an/a 1.70E+3n/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)


Article DOI: 10.1016/j.bmcl.2006.08.100
BindingDB Entry DOI: 10.7270/Q2RJ4J4W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50189616
PNG
(CHEMBL210384 | N-(3-(2-(4-isopropoxyphenoxy)thiazo...)
Show SMILES CC(C)Oc1ccc(Oc2ncc(s2)C#CCNC(C)=O)cc1
Show InChI InChI=1S/C17H18N2O3S/c1-12(2)21-14-6-8-15(9-7-14)22-17-19-11-16(23-17)5-4-10-18-13(3)20/h6-9,11-12H,10H2,1-3H3,(H,18,20)
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n/an/a 1.73E+3n/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)


Article DOI: 10.1021/jm060484v
BindingDB Entry DOI: 10.7270/Q2M61M20
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50189616
PNG
(CHEMBL210384 | N-(3-(2-(4-isopropoxyphenoxy)thiazo...)
Show SMILES CC(C)Oc1ccc(Oc2ncc(s2)C#CCNC(C)=O)cc1
Show InChI InChI=1S/C17H18N2O3S/c1-12(2)21-14-6-8-15(9-7-14)22-17-19-11-16(23-17)5-4-10-18-13(3)20/h6-9,11-12H,10H2,1-3H3,(H,18,20)
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n/an/a 1.73E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in SF9 cells


J Med Chem 50: 1078-82 (2007)


Article DOI: 10.1021/jm070035a
BindingDB Entry DOI: 10.7270/Q24F1QCB
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50189616
PNG
(CHEMBL210384 | N-(3-(2-(4-isopropoxyphenoxy)thiazo...)
Show SMILES CC(C)Oc1ccc(Oc2ncc(s2)C#CCNC(C)=O)cc1
Show InChI InChI=1S/C17H18N2O3S/c1-12(2)21-14-6-8-15(9-7-14)22-17-19-11-16(23-17)5-4-10-18-13(3)20/h6-9,11-12H,10H2,1-3H3,(H,18,20)
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n/an/a 1.86E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ACC2


Bioorg Med Chem Lett 17: 1803-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.047
BindingDB Entry DOI: 10.7270/Q28C9VXR
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50195025
PNG
(CHEMBL373580 | N-(4-(2-phenoxythiazol-5-yl)but-3-y...)
Show SMILES CC(NC(C)=O)C#Cc1cnc(Oc2ccccc2)s1
Show InChI InChI=1S/C15H14N2O2S/c1-11(17-12(2)18)8-9-14-10-16-15(20-14)19-13-6-4-3-5-7-13/h3-7,10-11H,1-2H3,(H,17,18)
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n/an/a 1.96E+3n/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)


Article DOI: 10.1016/j.bmcl.2006.08.100
BindingDB Entry DOI: 10.7270/Q2RJ4J4W
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


J Med Chem 56: 10132-41 (2013)


Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM97616
PNG
(CHEMBL1630720 | US8470841, 45)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC=O)cc2)cn1
Show InChI InChI=1S/C19H24N2O3/c1-14(2)23-19-11-10-18(12-20-19)24-17-8-6-16(7-9-17)5-4-15(3)21-13-22/h6-15H,4-5H2,1-3H3,(H,21,22)
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n/an/a 5.70E+3n/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


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50446529
PNG
(CHEMBL3110080)
Show SMILES CCc1nc(no1)N1CCN(C[C@@H]1C)c1ccc(OC)cc1C
Show InChI InChI=1S/C17H24N4O2/c1-5-16-18-17(19-23-16)21-9-8-20(11-13(21)3)15-7-6-14(22-4)10-12(15)2/h6-7,10,13H,5,8-9,11H2,1-4H3/t13-/m0/s1
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n/an/a>1.00E+4n/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


J Med Chem 56: 10132-41 (2013)


Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM97616
PNG
(CHEMBL1630720 | US8470841, 45)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC=O)cc2)cn1
Show InChI InChI=1S/C19H24N2O3/c1-14(2)23-19-11-10-18(12-20-19)24-17-8-6-16(7-9-17)5-4-15(3)21-13-22/h6-15H,4-5H2,1-3H3,(H,21,22)
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n/an/a 1.10E+4n/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


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50195025
PNG
(CHEMBL373580 | N-(4-(2-phenoxythiazol-5-yl)but-3-y...)
Show SMILES CC(NC(C)=O)C#Cc1cnc(Oc2ccccc2)s1
Show InChI InChI=1S/C15H14N2O2S/c1-11(17-12(2)18)8-9-14-10-16-15(20-14)19-13-6-4-3-5-7-13/h3-7,10-11H,1-2H3,(H,17,18)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1


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


Article DOI: 10.1016/j.bmcl.2006.08.100
BindingDB Entry DOI: 10.7270/Q2RJ4J4W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50189616
PNG
(CHEMBL210384 | N-(3-(2-(4-isopropoxyphenoxy)thiazo...)
Show SMILES CC(C)Oc1ccc(Oc2ncc(s2)C#CCNC(C)=O)cc1
Show InChI InChI=1S/C17H18N2O3S/c1-12(2)21-14-6-8-15(9-7-14)22-17-19-11-16(23-17)5-4-10-18-13(3)20/h6-9,11-12H,10H2,1-3H3,(H,18,20)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1 expressed in HEK293 cells


J Med Chem 49: 3770-3 (2006)


Article DOI: 10.1021/jm060484v
BindingDB Entry DOI: 10.7270/Q2M61M20
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50189632
PNG
(CHEMBL408331 | N-{3-[2-(4-isopropyl-phenoxy)-thiaz...)
Show SMILES CC(NC(C)=O)C#Cc1cnc(Oc2ccc(cc2)C(C)C)s1
Show InChI InChI=1S/C18H20N2O2S/c1-12(2)15-6-8-16(9-7-15)22-18-19-11-17(23-18)10-5-13(3)20-14(4)21/h6-9,11-13H,1-4H3,(H,20,21)
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Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 49: 3770-3 (2006)


Article DOI: 10.1021/jm060484v
BindingDB Entry DOI: 10.7270/Q2M61M20
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50189616
PNG
(CHEMBL210384 | N-(3-(2-(4-isopropoxyphenoxy)thiazo...)
Show SMILES CC(C)Oc1ccc(Oc2ncc(s2)C#CCNC(C)=O)cc1
Show InChI InChI=1S/C17H18N2O3S/c1-12(2)21-14-6-8-15(9-7-14)22-17-19-11-16(23-17)5-4-10-18-13(3)20/h6-9,11-12H,10H2,1-3H3,(H,18,20)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1 expressed in HEK293 cells


J Med Chem 50: 1078-82 (2007)


Article DOI: 10.1021/jm070035a
BindingDB Entry DOI: 10.7270/Q24F1QCB
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50189616
PNG
(CHEMBL210384 | N-(3-(2-(4-isopropoxyphenoxy)thiazo...)
Show SMILES CC(C)Oc1ccc(Oc2ncc(s2)C#CCNC(C)=O)cc1
Show InChI InChI=1S/C17H18N2O3S/c1-12(2)21-14-6-8-15(9-7-14)22-17-19-11-16(23-17)5-4-10-18-13(3)20/h6-9,11-12H,10H2,1-3H3,(H,18,20)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ACC1


Bioorg Med Chem Lett 17: 1803-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.047
BindingDB Entry DOI: 10.7270/Q28C9VXR
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50195050
PNG
(CHEMBL220437 | N-(4-(2-(2-methoxyphenoxy)thiazol-5...)
Show SMILES COc1ccccc1Oc1ncc(s1)C#CC(C)NC(C)=O
Show InChI InChI=1S/C16H16N2O3S/c1-11(18-12(2)19)8-9-13-10-17-16(22-13)21-15-7-5-4-6-14(15)20-3/h4-7,10-11H,1-3H3,(H,18,19)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1


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


Article DOI: 10.1016/j.bmcl.2006.08.100
BindingDB Entry DOI: 10.7270/Q2RJ4J4W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50195018
PNG
(CHEMBL223371 | N-(4-(2-(4-methoxyphenoxy)thiazol-5...)
Show SMILES COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C16H16N2O3S/c1-11(18-12(2)19)4-9-15-10-17-16(22-15)21-14-7-5-13(20-3)6-8-14/h5-8,10-11H,1-3H3,(H,18,19)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1


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


Article DOI: 10.1016/j.bmcl.2006.08.100
BindingDB Entry DOI: 10.7270/Q2RJ4J4W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50195028
PNG
(CHEMBL373771 | N-(4-(2-(3-methoxyphenoxy)thiazol-5...)
Show SMILES COc1cccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c1
Show InChI InChI=1S/C16H16N2O3S/c1-11(18-12(2)19)7-8-15-10-17-16(22-15)21-14-6-4-5-13(9-14)20-3/h4-6,9-11H,1-3H3,(H,18,19)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1


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


Article DOI: 10.1016/j.bmcl.2006.08.100
BindingDB Entry DOI: 10.7270/Q2RJ4J4W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50195035
PNG
(CHEMBL222616 | N-(4-(2-(4-hydroxyphenoxy)thiazol-5...)
Show SMILES CC(NC(C)=O)C#Cc1cnc(Oc2ccc(O)cc2)s1
Show InChI InChI=1S/C15H14N2O3S/c1-10(17-11(2)18)3-8-14-9-16-15(21-14)20-13-6-4-12(19)5-7-13/h4-7,9-10,19H,1-2H3,(H,17,18)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1


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


Article DOI: 10.1016/j.bmcl.2006.08.100
BindingDB Entry DOI: 10.7270/Q2RJ4J4W
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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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)


Article DOI: 10.1016/s0960-894x(03)00664-4
BindingDB Entry DOI: 10.7270/Q2TT4QB1
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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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)


Article DOI: 10.1016/s0960-894x(03)00664-4
BindingDB Entry DOI: 10.7270/Q2TT4QB1
More data for this
Ligand-Target Pair
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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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)


Article DOI: 10.1016/s0960-894x(03)00664-4
BindingDB Entry DOI: 10.7270/Q2TT4QB1
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)


Article DOI: 10.1016/s0960-894x(03)00664-4
BindingDB Entry DOI: 10.7270/Q2TT4QB1
More data for this
Ligand-Target Pair