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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2' and Ligand = 'BDBM50189630'   
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))
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 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


(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


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


(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))
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 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


(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)
PDB
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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


Bioorg Med Chem Lett 17: 1961-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.022
BindingDB Entry DOI: 10.7270/Q2W095KS
More data for this
Ligand-Target Pair