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PubMed code 16789734

Compile data set for download or QSAR
Found 42 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))
BDBM50189627
PNG
(CHEMBL212460 | N-{3-[4-(4-isopropoxyphenoxy)phenyl...)
Show SMILES CC(C)Oc1ccc(Oc2ccc(cc2)C#CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C21H23NO3/c1-15(2)24-19-11-13-21(14-12-19)25-20-9-7-18(8-10-20)6-5-16(3)22-17(4)23/h7-16H,1-4H3,(H,22,23)
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n/an/a 6n/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


(Homo sapiens (Human))
BDBM50189631
PNG
(CHEMBL376983 | N-(4-(2-(4-phenoxyphenoxy)thiazol-5...)
Show SMILES CC(NC(C)=O)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1
Show InChI InChI=1S/C21H18N2O3S/c1-15(23-16(2)24)8-13-20-14-22-21(27-20)26-19-11-9-18(10-12-19)25-17-6-4-3-5-7-17/h3-7,9-12,14-15H,1-2H3,(H,23,24)
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n/an/a 11n/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


(Homo sapiens (Human))
BDBM50189620
PNG
(CHEMBL208680 | N-{3-[2-(6-isopropoxy-pyridin-3-ylo...)
Show SMILES CC(C)Oc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cn1
Show InChI InChI=1S/C17H19N3O3S/c1-11(2)22-16-8-6-14(9-18-16)23-17-19-10-15(24-17)7-5-12(3)20-13(4)21/h6,8-12H,1-4H3,(H,20,21)
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n/an/a 15n/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


(Homo sapiens (Human))
BDBM50189630
PNG
(CHEMBL377212 | N-(4-(2-(4-isopropoxyphenoxy)thiazo...)
Show SMILES CC(C)Oc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C18H20N2O3S/c1-12(2)22-15-6-8-16(9-7-15)23-18-19-11-17(24-18)10-5-13(3)20-14(4)21/h6-9,11-13H,1-4H3,(H,20,21)
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n/an/a 19n/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


(Homo sapiens (Human))
BDBM50189622
PNG
(CHEMBL208672 | {1-methyl-3-[2-(4-phenoxy-phenoxy)-...)
Show SMILES CC(NC(N)=O)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1
Show InChI InChI=1S/C20H17N3O3S/c1-14(23-19(21)24)7-12-18-13-22-20(27-18)26-17-10-8-16(9-11-17)25-15-5-3-2-4-6-15/h2-6,8-11,13-14H,1H3,(H3,21,23,24)
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n/an/a 26n/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 1


(Homo sapiens (Human))
BDBM50189627
PNG
(CHEMBL212460 | N-{3-[4-(4-isopropoxyphenoxy)phenyl...)
Show SMILES CC(C)Oc1ccc(Oc2ccc(cc2)C#CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C21H23NO3/c1-15(2)24-19-11-13-21(14-12-19)25-20-9-7-18(8-10-20)6-5-16(3)22-17(4)23/h7-16H,1-4H3,(H,22,23)
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n/an/a 29n/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


(Homo sapiens (Human))
BDBM50189615
PNG
(1-(4-(2-(4-isopropoxyphenoxy)thiazol-5-yl)but-3-yn...)
Show SMILES CNC(=O)NC(C)C#Cc1cnc(Oc2ccc(OC(C)C)cc2)s1
Show InChI InChI=1S/C18H21N3O3S/c1-12(2)23-14-6-8-15(9-7-14)24-18-20-11-16(25-18)10-5-13(3)21-17(22)19-4/h6-9,11-13H,1-4H3,(H2,19,21,22)
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n/an/a 30n/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


(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 |r|
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
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
3D
3D Structure (crystal)
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50189628
PNG
((S)-(-)-{3-[2-(4-isopropoxy-phenoxy)-thiazol-4-yl]...)
Show SMILES COC(=O)N[C@@H](C)C#Cc1cnc(Oc2ccc(OC(C)C)cc2)s1
Show InChI InChI=1S/C18H20N2O4S/c1-12(2)23-14-6-8-15(9-7-14)24-18-19-11-16(25-18)10-5-13(3)20-17(21)22-4/h6-9,11-13H,1-4H3,(H,20,21)/t13-/m0/s1
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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


(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 |r|
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


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


(Homo sapiens (Human))
BDBM50189624
PNG
(CHEMBL377535 | N-(4-(2-(4-(isopropylthio)phenoxy)t...)
Show SMILES CC(C)Sc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C18H20N2O2S2/c1-12(2)23-16-9-6-15(7-10-16)22-18-19-11-17(24-18)8-5-13(3)20-14(4)21/h6-7,9-13H,1-4H3,(H,20,21)
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n/an/a 55n/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


(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 |r|
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 61n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ACC2


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
3D
3D Structure (crystal)
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50189623
PNG
(CHEMBL208880 | N-{3-[2-(4-isopropoxy-phenylsulfany...)
Show SMILES CC(C)Oc1ccc(Sc2ncc(s2)C#CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C18H20N2O2S2/c1-12(2)22-15-6-9-16(10-7-15)23-18-19-11-17(24-18)8-5-13(3)20-14(4)21/h6-7,9-13H,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 2


(Homo sapiens (Human))
BDBM50189633
PNG
(1-hydroxy-1-(4-(2-(4-phenoxyphenoxy)thiazol-5-yl)b...)
Show SMILES CC(C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1)N(O)C(N)=O
Show InChI InChI=1S/C20H17N3O4S/c1-14(23(25)19(21)24)7-12-18-13-22-20(28-18)27-17-10-8-16(9-11-17)26-15-5-3-2-4-6-15/h2-6,8-11,13-14,25H,1H3,(H2,21,24)
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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 2


(Homo sapiens (Human))
BDBM50189621
PNG
(CHEMBL426325 | methyl 4-(2-(4-isopropoxyphenoxy)th...)
Show SMILES COC(=O)NC(C)C#Cc1cnc(Oc2ccc(OC(C)C)cc2)s1
Show InChI InChI=1S/C18H20N2O4S/c1-12(2)23-14-6-8-15(9-7-14)24-18-19-11-16(25-18)10-5-13(3)20-17(21)22-4/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 2


(Homo sapiens (Human))
BDBM50189629
PNG
(CHEMBL208555 | N-(4-(2-(4-(isopropylamino)phenoxy)...)
Show SMILES CC(C)Nc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C18H21N3O2S/c1-12(2)20-15-6-8-16(9-7-15)23-18-19-11-17(24-18)10-5-13(3)21-14(4)22/h6-9,11-13,20H,1-4H3,(H,21,22)
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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


(Homo sapiens (Human))
BDBM50189631
PNG
(CHEMBL376983 | N-(4-(2-(4-phenoxyphenoxy)thiazol-5...)
Show SMILES CC(NC(C)=O)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1
Show InChI InChI=1S/C21H18N2O3S/c1-15(23-16(2)24)8-13-20-14-22-21(27-20)26-19-11-9-18(10-12-19)25-17-6-4-3-5-7-17/h3-7,9-12,14-15H,1-2H3,(H,23,24)
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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 1


(Homo sapiens (Human))
BDBM50189624
PNG
(CHEMBL377535 | N-(4-(2-(4-(isopropylthio)phenoxy)t...)
Show SMILES CC(C)Sc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C18H20N2O2S2/c1-12(2)23-16-9-6-15(7-10-16)22-18-19-11-17(24-18)8-5-13(3)20-14(4)21/h6-7,9-13H,1-4H3,(H,20,21)
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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 1


(Homo sapiens (Human))
BDBM50189620
PNG
(CHEMBL208680 | N-{3-[2-(6-isopropoxy-pyridin-3-ylo...)
Show SMILES CC(C)Oc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cn1
Show InChI InChI=1S/C17H19N3O3S/c1-11(2)22-16-8-6-14(9-18-16)23-17-19-10-15(24-17)7-5-12(3)20-13(4)21/h6,8-12H,1-4H3,(H,20,21)
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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 1


(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 |r|
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


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


(Homo sapiens (Human))
BDBM50189634
PNG
(4-[2-(4-phenoxy-phenoxy)-thiazol-5-yl]-but-3-yn-2-...)
Show SMILES CC(O)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1
Show InChI InChI=1S/C19H15NO3S/c1-14(21)7-12-18-13-20-19(24-18)23-17-10-8-16(9-11-17)22-15-5-3-2-4-6-15/h2-6,8-11,13-14,21H,1H3
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n/an/a 600n/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


(Homo sapiens (Human))
BDBM50189626
PNG
(CHEMBL209279 | N-(1-cyclopropyl-3-(2-(4-isopropoxy...)
Show SMILES CC(C)Oc1ccc(Oc2ncc(s2)C#CC(NC(C)=O)C2CC2)cc1
Show InChI InChI=1S/C20H22N2O3S/c1-13(2)24-16-6-8-17(9-7-16)25-20-21-12-18(26-20)10-11-19(15-4-5-15)22-14(3)23/h6-9,12-13,15,19H,4-5H2,1-3H3,(H,22,23)
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n/an/a 840n/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 1


(Homo sapiens (Human))
BDBM50189633
PNG
(1-hydroxy-1-(4-(2-(4-phenoxyphenoxy)thiazol-5-yl)b...)
Show SMILES CC(C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1)N(O)C(N)=O
Show InChI InChI=1S/C20H17N3O4S/c1-14(23(25)19(21)24)7-12-18-13-22-20(28-18)27-17-10-8-16(9-11-17)26-15-5-3-2-4-6-15/h2-6,8-11,13-14,25H,1H3,(H2,21,24)
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n/an/a 1.00E+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 1


(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


(Homo sapiens (Human))
BDBM50189625
PNG
((R)-(+)-{3-[2-(4-isopropoxy-phenoxy)-thiazol-5-yl]...)
Show SMILES COC(=O)N[C@H](C)C#Cc1cnc(Oc2ccc(OC(C)C)cc2)s1
Show InChI InChI=1S/C18H20N2O4S/c1-12(2)23-14-6-8-15(9-7-14)24-18-19-11-16(25-18)10-5-13(3)20-17(21)22-4/h6-9,11-13H,1-4H3,(H,20,21)/t13-/m1/s1
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n/an/a 1.51E+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


(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


(Homo sapiens (Human))
BDBM50189619
PNG
(1-methyl-3-[2-(4-phenoxy-phenoxy)-thiazol-5-yl]-pr...)
Show SMILES CC(N)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1
Show InChI InChI=1S/C19H16N2O2S/c1-14(20)7-12-18-13-21-19(24-18)23-17-10-8-16(9-11-17)22-15-5-3-2-4-6-15/h2-6,8-11,13-14H,20H2,1H3
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n/an/a 2.42E+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


(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>3.00E+4n/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 1


(Homo sapiens (Human))
BDBM50189619
PNG
(1-methyl-3-[2-(4-phenoxy-phenoxy)-thiazol-5-yl]-pr...)
Show SMILES CC(N)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1
Show InChI InChI=1S/C19H16N2O2S/c1-14(20)7-12-18-13-21-19(24-18)23-17-10-8-16(9-11-17)22-15-5-3-2-4-6-15/h2-6,8-11,13-14H,20H2,1H3
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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 1


(Homo sapiens (Human))
BDBM50189630
PNG
(CHEMBL377212 | N-(4-(2-(4-isopropoxyphenoxy)thiazo...)
Show SMILES CC(C)Oc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C18H20N2O3S/c1-12(2)22-15-6-8-16(9-7-15)23-18-19-11-17(24-18)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 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


(Homo sapiens (Human))
BDBM50189618
PNG
(CHEMBL554385 | N-{3-[2-(4-isopropoxy-phenoxy)-thia...)
Show SMILES CC(C)Oc1ccc(Oc2[nH+]c(cs2)C#CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C18H20N2O3S/c1-12(2)22-16-7-9-17(10-8-16)23-18-20-15(11-24-18)6-5-13(3)19-14(4)21/h7-13H,1-4H3,(H,19,21)/p+1
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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


(Homo sapiens (Human))
BDBM50189615
PNG
(1-(4-(2-(4-isopropoxyphenoxy)thiazol-5-yl)but-3-yn...)
Show SMILES CNC(=O)NC(C)C#Cc1cnc(Oc2ccc(OC(C)C)cc2)s1
Show InChI InChI=1S/C18H21N3O3S/c1-12(2)23-14-6-8-15(9-7-14)24-18-20-11-16(25-18)10-5-13(3)21-17(22)19-4/h6-9,11-13H,1-4H3,(H2,19,21,22)
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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 1


(Homo sapiens (Human))
BDBM50189625
PNG
((R)-(+)-{3-[2-(4-isopropoxy-phenoxy)-thiazol-5-yl]...)
Show SMILES COC(=O)N[C@H](C)C#Cc1cnc(Oc2ccc(OC(C)C)cc2)s1
Show InChI InChI=1S/C18H20N2O4S/c1-12(2)23-14-6-8-15(9-7-14)24-18-19-11-16(25-18)10-5-13(3)20-17(21)22-4/h6-9,11-13H,1-4H3,(H,20,21)/t13-/m1/s1
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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 1


(Homo sapiens (Human))
BDBM50189623
PNG
(CHEMBL208880 | N-{3-[2-(4-isopropoxy-phenylsulfany...)
Show SMILES CC(C)Oc1ccc(Sc2ncc(s2)C#CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C18H20N2O2S2/c1-12(2)22-15-6-9-16(10-7-15)23-18-19-11-17(24-18)8-5-13(3)20-14(4)21/h6-7,9-13H,1-4H3,(H,20,21)
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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 1


(Homo sapiens (Human))
BDBM50189634
PNG
(4-[2-(4-phenoxy-phenoxy)-thiazol-5-yl]-but-3-yn-2-...)
Show SMILES CC(O)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1
Show InChI InChI=1S/C19H15NO3S/c1-14(21)7-12-18-13-20-19(24-18)23-17-10-8-16(9-11-17)22-15-5-3-2-4-6-15/h2-6,8-11,13-14,21H,1H3
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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 1


(Homo sapiens (Human))
BDBM50189621
PNG
(CHEMBL426325 | methyl 4-(2-(4-isopropoxyphenoxy)th...)
Show SMILES COC(=O)NC(C)C#Cc1cnc(Oc2ccc(OC(C)C)cc2)s1
Show InChI InChI=1S/C18H20N2O4S/c1-12(2)23-14-6-8-15(9-7-14)24-18-19-11-16(25-18)10-5-13(3)20-17(21)22-4/h6-9,11-13H,1-4H3,(H,20,21)
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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 1


(Homo sapiens (Human))
BDBM50189628
PNG
((S)-(-)-{3-[2-(4-isopropoxy-phenoxy)-thiazol-4-yl]...)
Show SMILES COC(=O)N[C@@H](C)C#Cc1cnc(Oc2ccc(OC(C)C)cc2)s1
Show InChI InChI=1S/C18H20N2O4S/c1-12(2)23-14-6-8-15(9-7-14)24-18-19-11-16(25-18)10-5-13(3)20-17(21)22-4/h6-9,11-13H,1-4H3,(H,20,21)/t13-/m0/s1
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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 1


(Homo sapiens (Human))
BDBM50189629
PNG
(CHEMBL208555 | N-(4-(2-(4-(isopropylamino)phenoxy)...)
Show SMILES CC(C)Nc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C18H21N3O2S/c1-12(2)20-15-6-8-16(9-7-15)23-18-19-11-17(24-18)10-5-13(3)21-14(4)22/h6-9,11-13,20H,1-4H3,(H,21,22)
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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 1


(Homo sapiens (Human))
BDBM50189618
PNG
(CHEMBL554385 | N-{3-[2-(4-isopropoxy-phenoxy)-thia...)
Show SMILES CC(C)Oc1ccc(Oc2[nH+]c(cs2)C#CC(C)NC(C)=O)cc1
Show InChI InChI=1S/C18H20N2O3S/c1-12(2)22-16-7-9-17(10-8-16)23-18-20-15(11-24-18)6-5-13(3)19-14(4)21/h7-13H,1-4H3,(H,19,21)/p+1
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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 1


(Homo sapiens (Human))
BDBM50189626
PNG
(CHEMBL209279 | N-(1-cyclopropyl-3-(2-(4-isopropoxy...)
Show SMILES CC(C)Oc1ccc(Oc2ncc(s2)C#CC(NC(C)=O)C2CC2)cc1
Show InChI InChI=1S/C20H22N2O3S/c1-13(2)24-16-6-8-17(9-7-16)25-20-21-12-18(26-20)10-11-19(15-4-5-15)22-14(3)23/h6-9,12-13,15,19H,4-5H2,1-3H3,(H,22,23)
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KEGG

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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 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 1


(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>3.00E+4n/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 1


(Homo sapiens (Human))
BDBM50189622
PNG
(CHEMBL208672 | {1-methyl-3-[2-(4-phenoxy-phenoxy)-...)
Show SMILES CC(NC(N)=O)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1
Show InChI InChI=1S/C20H17N3O3S/c1-14(23-19(21)24)7-12-18-13-22-20(27-18)26-17-10-8-16(9-11-17)25-15-5-3-2-4-6-15/h2-6,8-11,13-14H,1H3,(H3,21,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/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
* indicates data uncertainty>20%