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Compile Data Set for Download or QSAR

Found 82 hits Enz. Inhib. hit(s) with all data for entry = 50030832   
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))
BDBM50302339
PNG
(CHEMBL567281 | N-(1-(4'-(4-phenoxyphenoxy)biphenyl...)
Show SMILES CC(NC(C)=O)c1ccc(cc1)-c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C28H25NO3/c1-20(29-21(2)30)22-8-10-23(11-9-22)24-12-14-26(15-13-24)32-28-18-16-27(17-19-28)31-25-6-4-3-5-7-25/h3-20H,1-2H3,(H,29,30)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302369
PNG
((S)-N-(1-(4-(6-(4-propoxyphenoxy)pyridin-3-yl)phen...)
Show SMILES CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)[C@H](C)NC(C)=O)cc1 |r|
Show InChI InChI=1S/C24H26N2O3/c1-4-15-28-22-10-12-23(13-11-22)29-24-14-9-21(16-25-24)20-7-5-19(6-8-20)17(2)26-18(3)27/h5-14,16-17H,4,15H2,1-3H3,(H,26,27)/t17-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302368
PNG
(CHEMBL567291 | N-(1-(4'-(3-propoxyphenoxy)biphenyl...)
Show SMILES CCCOc1cccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)c1
Show InChI InChI=1S/C25H27NO3/c1-4-16-28-24-6-5-7-25(17-24)29-23-14-12-22(13-15-23)21-10-8-20(9-11-21)18(2)26-19(3)27/h5-15,17-18H,4,16H2,1-3H3,(H,26,27)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302368
PNG
(CHEMBL567291 | N-(1-(4'-(3-propoxyphenoxy)biphenyl...)
Show SMILES CCCOc1cccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)c1
Show InChI InChI=1S/C25H27NO3/c1-4-16-28-24-6-5-7-25(17-24)29-23-14-12-22(13-15-23)21-10-8-20(9-11-21)18(2)26-19(3)27/h5-15,17-18H,4,16H2,1-3H3,(H,26,27)
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302337
PNG
(CHEMBL567935 | N-(1-(4'-(4-propoxyphenoxy)biphenyl...)
Show SMILES CCCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C25H27NO3/c1-4-17-28-23-13-15-25(16-14-23)29-24-11-9-22(10-12-24)21-7-5-20(6-8-21)18(2)26-19(3)27/h5-16,18H,4,17H2,1-3H3,(H,26,27)
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302339
PNG
(CHEMBL567281 | N-(1-(4'-(4-phenoxyphenoxy)biphenyl...)
Show SMILES CC(NC(C)=O)c1ccc(cc1)-c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C28H25NO3/c1-20(29-21(2)30)22-8-10-23(11-9-22)24-12-14-26(15-13-24)32-28-18-16-27(17-19-28)31-25-6-4-3-5-7-25/h3-20H,1-2H3,(H,29,30)
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302355
PNG
(CHEMBL565818 | N-(1-(4'-(4-isopropoxyphenoxy)-2'-m...)
Show SMILES CC(C)Oc1ccc(Oc2ccc(c(C)c2)-c2ccc(cc2)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C26H29NO3/c1-17(2)29-23-10-12-24(13-11-23)30-25-14-15-26(18(3)16-25)22-8-6-21(7-9-22)19(4)27-20(5)28/h6-17,19H,1-5H3,(H,27,28)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302366
PNG
(CHEMBL585885 | N-(1-(4'-(3-phenoxyphenoxy)biphenyl...)
Show SMILES CC(NC(C)=O)c1ccc(cc1)-c1ccc(Oc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C28H25NO3/c1-20(29-21(2)30)22-11-13-23(14-12-22)24-15-17-26(18-16-24)32-28-10-6-9-27(19-28)31-25-7-4-3-5-8-25/h3-20H,1-2H3,(H,29,30)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302337
PNG
(CHEMBL567935 | N-(1-(4'-(4-propoxyphenoxy)biphenyl...)
Show SMILES CCCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C25H27NO3/c1-4-17-28-23-13-15-25(16-14-23)29-24-11-9-22(10-12-24)21-7-5-20(6-8-21)18(2)26-19(3)27/h5-16,18H,4,17H2,1-3H3,(H,26,27)
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302338
PNG
(CHEMBL567936 | N-(1-(4'-(4-isopropoxyphenoxy)biphe...)
Show SMILES CC(C)Oc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C25H27NO3/c1-17(2)28-23-13-15-25(16-14-23)29-24-11-9-22(10-12-24)21-7-5-20(6-8-21)18(3)26-19(4)27/h5-18H,1-4H3,(H,26,27)
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302351
PNG
(CHEMBL585578 | N-(1-(4-6-(4-propoxyphenoxy)pyridin...)
Show SMILES CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C24H26N2O3/c1-4-15-28-22-10-12-23(13-11-22)29-24-14-9-21(16-25-24)20-7-5-19(6-8-20)17(2)26-18(3)27/h5-14,16-17H,4,15H2,1-3H3,(H,26,27)
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302353
PNG
(CHEMBL585491 | N-(1-(4-(6-(3-phenoxyphenoxy)pyridi...)
Show SMILES CC(NC(C)=O)c1ccc(cc1)-c1ccc(Oc2cccc(Oc3ccccc3)c2)nc1
Show InChI InChI=1S/C27H24N2O3/c1-19(29-20(2)30)21-11-13-22(14-12-21)23-15-16-27(28-18-23)32-26-10-6-9-25(17-26)31-24-7-4-3-5-8-24/h3-19H,1-2H3,(H,29,30)
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n/an/a 32n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302338
PNG
(CHEMBL567936 | N-(1-(4'-(4-isopropoxyphenoxy)biphe...)
Show SMILES CC(C)Oc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C25H27NO3/c1-17(2)28-23-13-15-25(16-14-23)29-24-11-9-22(10-12-24)21-7-5-20(6-8-21)18(3)26-19(4)27/h5-18H,1-4H3,(H,26,27)
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n/an/a 33n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302343
PNG
(CHEMBL565418 | N-(1-(4'-(4-benzoylphenoxy)biphenyl...)
Show SMILES CC(NC(C)=O)c1ccc(cc1)-c1ccc(Oc2ccc(cc2)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C29H25NO3/c1-20(30-21(2)31)22-8-10-23(11-9-22)24-12-16-27(17-13-24)33-28-18-14-26(15-19-28)29(32)25-6-4-3-5-7-25/h3-20H,1-2H3,(H,30,31)
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n/an/a 35n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302349
PNG
(CHEMBL566862 | N-(1-(4-(6-(4-propoxyphenoxy)pyridi...)
Show SMILES CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(=O)CCC)cc1
Show InChI InChI=1S/C26H30N2O3/c1-4-6-25(29)28-19(3)20-7-9-21(10-8-20)22-11-16-26(27-18-22)31-24-14-12-23(13-15-24)30-17-5-2/h7-16,18-19H,4-6,17H2,1-3H3,(H,28,29)
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n/an/a 35n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302355
PNG
(CHEMBL565818 | N-(1-(4'-(4-isopropoxyphenoxy)-2'-m...)
Show SMILES CC(C)Oc1ccc(Oc2ccc(c(C)c2)-c2ccc(cc2)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C26H29NO3/c1-17(2)29-23-10-12-24(13-11-23)30-25-14-15-26(18(3)16-25)22-8-6-21(7-9-22)19(4)27-20(5)28/h6-17,19H,1-5H3,(H,27,28)
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n/an/a 35n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302369
PNG
((S)-N-(1-(4-(6-(4-propoxyphenoxy)pyridin-3-yl)phen...)
Show SMILES CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)[C@H](C)NC(C)=O)cc1 |r|
Show InChI InChI=1S/C24H26N2O3/c1-4-15-28-22-10-12-23(13-11-22)29-24-14-9-21(16-25-24)20-7-5-19(6-8-20)17(2)26-18(3)27/h5-14,16-17H,4,15H2,1-3H3,(H,26,27)/t17-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302358
PNG
(CHEMBL568145 | N-(1-(4'-(3-propoxyphenoxy)biphenyl...)
Show SMILES CCCOc1cccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(=O)c2cn[nH]c2)c1
Show InChI InChI=1S/C27H27N3O3/c1-3-15-32-25-5-4-6-26(16-25)33-24-13-11-22(12-14-24)21-9-7-20(8-10-21)19(2)30-27(31)23-17-28-29-18-23/h4-14,16-19H,3,15H2,1-2H3,(H,28,29)(H,30,31)
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n/an/a 36n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302342
PNG
(CHEMBL568155 | N-(1-(4'-(4-benzylphenoxy)biphenyl-...)
Show SMILES CC(NC(C)=O)c1ccc(cc1)-c1ccc(Oc2ccc(Cc3ccccc3)cc2)cc1
Show InChI InChI=1S/C29H27NO2/c1-21(30-22(2)31)25-10-12-26(13-11-25)27-14-18-29(19-15-27)32-28-16-8-24(9-17-28)20-23-6-4-3-5-7-23/h3-19,21H,20H2,1-2H3,(H,30,31)
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n/an/a 39n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302366
PNG
(CHEMBL585885 | N-(1-(4'-(3-phenoxyphenoxy)biphenyl...)
Show SMILES CC(NC(C)=O)c1ccc(cc1)-c1ccc(Oc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C28H25NO3/c1-20(29-21(2)30)22-11-13-23(14-12-22)24-15-17-26(18-16-24)32-28-10-6-9-27(19-28)31-25-7-4-3-5-8-25/h3-20H,1-2H3,(H,29,30)
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n/an/a 41n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302367
PNG
(CHEMBL566680 | N-(1-(4'-(4-propoxyphenoxy)biphenyl...)
Show SMILES CCCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(=O)CC)cc1
Show InChI InChI=1S/C26H29NO3/c1-4-18-29-23-14-16-25(17-15-23)30-24-12-10-22(11-13-24)21-8-6-20(7-9-21)19(3)27-26(28)5-2/h6-17,19H,4-5,18H2,1-3H3,(H,27,28)
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n/an/a 47n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302353
PNG
(CHEMBL585491 | N-(1-(4-(6-(3-phenoxyphenoxy)pyridi...)
Show SMILES CC(NC(C)=O)c1ccc(cc1)-c1ccc(Oc2cccc(Oc3ccccc3)c2)nc1
Show InChI InChI=1S/C27H24N2O3/c1-19(29-20(2)30)21-11-13-22(14-12-21)23-15-16-27(28-18-23)32-26-10-6-9-25(17-26)31-24-7-4-3-5-8-24/h3-19H,1-2H3,(H,29,30)
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n/an/a 49n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302348
PNG
(CHEMBL567700 | N-(1-(4-(6-(4-(benzyloxy)phenoxy)py...)
Show SMILES CC(NC(C)=O)c1ccc(cc1)-c1ccc(Oc2ccc(OCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C28H26N2O3/c1-20(30-21(2)31)23-8-10-24(11-9-23)25-12-17-28(29-18-25)33-27-15-13-26(14-16-27)32-19-22-6-4-3-5-7-22/h3-18,20H,19H2,1-2H3,(H,30,31)
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n/an/a 58n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302349
PNG
(CHEMBL566862 | N-(1-(4-(6-(4-propoxyphenoxy)pyridi...)
Show SMILES CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(=O)CCC)cc1
Show InChI InChI=1S/C26H30N2O3/c1-4-6-25(29)28-19(3)20-7-9-21(10-8-20)22-11-16-26(27-18-22)31-24-14-12-23(13-15-24)30-17-5-2/h7-16,18-19H,4-6,17H2,1-3H3,(H,28,29)
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n/an/a 69n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302341
PNG
(CHEMBL567934 | N-(1-(4'-(4-propylphenoxy)biphenyl-...)
Show SMILES CCCc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C25H27NO2/c1-4-5-20-6-14-24(15-7-20)28-25-16-12-23(13-17-25)22-10-8-21(9-11-22)18(2)26-19(3)27/h6-18H,4-5H2,1-3H3,(H,26,27)
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n/an/a 81n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302357
PNG
(CHEMBL584907 | N-(1-(4'-(4-isopropoxyphenoxy)-2,2'...)
Show SMILES CC(C)Oc1ccc(Oc2ccc(c(C)c2)-c2ccc(cc2C)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C27H31NO3/c1-17(2)30-23-8-10-24(11-9-23)31-25-12-14-27(19(4)16-25)26-13-7-22(15-18(26)3)20(5)28-21(6)29/h7-17,20H,1-6H3,(H,28,29)
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n/an/a 88n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302344
PNG
(CHEMBL565627 | N-(1-(4'-(4-(2-methoxyethyl)phenoxy...)
Show SMILES COCCc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C25H27NO3/c1-18(26-19(2)27)21-6-8-22(9-7-21)23-10-14-25(15-11-23)29-24-12-4-20(5-13-24)16-17-28-3/h4-15,18H,16-17H2,1-3H3,(H,26,27)
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n/an/a 89n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302352
PNG
(CHEMBL566681 | N-(1-(4-(6-(4-isopropoxyphenoxy)pyr...)
Show SMILES CC(C)Oc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C24H26N2O3/c1-16(2)28-22-10-12-23(13-11-22)29-24-14-9-21(15-25-24)20-7-5-19(6-8-20)17(3)26-18(4)27/h5-17H,1-4H3,(H,26,27)
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n/an/a 93n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302346
PNG
(CHEMBL567290 | N-(1-(4'-(3-ethoxyphenoxy)biphenyl-...)
Show SMILES CCOc1cccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)c1
Show InChI InChI=1S/C24H25NO3/c1-4-27-23-6-5-7-24(16-23)28-22-14-12-21(13-15-22)20-10-8-19(9-11-20)17(2)25-18(3)26/h5-17H,4H2,1-3H3,(H,25,26)
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n/an/a 102n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302351
PNG
(CHEMBL585578 | N-(1-(4-6-(4-propoxyphenoxy)pyridin...)
Show SMILES CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C24H26N2O3/c1-4-15-28-22-10-12-23(13-11-22)29-24-14-9-21(16-25-24)20-7-5-19(6-8-20)17(2)26-18(3)27/h5-14,16-17H,4,15H2,1-3H3,(H,26,27)
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n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302343
PNG
(CHEMBL565418 | N-(1-(4'-(4-benzoylphenoxy)biphenyl...)
Show SMILES CC(NC(C)=O)c1ccc(cc1)-c1ccc(Oc2ccc(cc2)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C29H25NO3/c1-20(30-21(2)31)22-8-10-23(11-9-22)24-12-16-27(17-13-24)33-28-18-14-26(15-19-28)29(32)25-6-4-3-5-7-25/h3-20H,1-2H3,(H,30,31)
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n/an/a 113n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302341
PNG
(CHEMBL567934 | N-(1-(4'-(4-propylphenoxy)biphenyl-...)
Show SMILES CCCc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C25H27NO2/c1-4-5-20-6-14-24(15-7-20)28-25-16-12-23(13-17-25)22-10-8-21(9-11-22)18(2)26-19(3)27/h6-18H,4-5H2,1-3H3,(H,26,27)
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n/an/a 114n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302348
PNG
(CHEMBL567700 | N-(1-(4-(6-(4-(benzyloxy)phenoxy)py...)
Show SMILES CC(NC(C)=O)c1ccc(cc1)-c1ccc(Oc2ccc(OCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C28H26N2O3/c1-20(30-21(2)31)23-8-10-24(11-9-23)25-12-17-28(29-18-25)33-27-15-13-26(14-16-27)32-19-22-6-4-3-5-7-22/h3-18,20H,19H2,1-2H3,(H,30,31)
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n/an/a 117n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302336
PNG
(CHEMBL567499 | N-(1-(4'-(4-ethoxyphenoxy)biphenyl-...)
Show SMILES CCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C24H25NO3/c1-4-27-22-13-15-24(16-14-22)28-23-11-9-21(10-12-23)20-7-5-19(6-8-20)17(2)25-18(3)26/h5-17H,4H2,1-3H3,(H,25,26)
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n/an/a 119n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302345
PNG
(CHEMBL565839 | N-(1-(4'-(4-(2-hydroxy-5,6,7,8-tetr...)
Show SMILES CC(NC(C)=O)c1ccc(cc1)-c1ccc(Oc2ccc(cc2)-c2c(O)ccc3CCCCc23)cc1
Show InChI InChI=1S/C32H31NO3/c1-21(33-22(2)34)23-7-9-24(10-8-23)25-11-16-28(17-12-25)36-29-18-13-27(14-19-29)32-30-6-4-3-5-26(30)15-20-31(32)35/h7-21,35H,3-6H2,1-2H3,(H,33,34)
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n/an/a 140n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302331
PNG
(CHEMBL567923 | N-(1-(4-(6-(4-propoxyphenoxy)pyridi...)
Show SMILES CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(=O)C2CC2)cc1
Show InChI InChI=1S/C26H28N2O3/c1-3-16-30-23-11-13-24(14-12-23)31-25-15-10-22(17-27-25)20-6-4-19(5-7-20)18(2)28-26(29)21-8-9-21/h4-7,10-15,17-18,21H,3,8-9,16H2,1-2H3,(H,28,29)
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n/an/a 141n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302330
PNG
(CHEMBL586039 | N-(1-(4-(6-(4-propoxyphenoxy)pyridi...)
Show SMILES CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(=O)C(C)C)cc1
Show InChI InChI=1S/C26H30N2O3/c1-5-16-30-23-11-13-24(14-12-23)31-25-15-10-22(17-27-25)21-8-6-20(7-9-21)19(4)28-26(29)18(2)3/h6-15,17-19H,5,16H2,1-4H3,(H,28,29)
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n/an/a 156n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302364
PNG
(CHEMBL568362 | N-(1-(4'-(4-propoxyphenoxy)biphenyl...)
Show SMILES CCCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(=O)C(C)C)cc1
Show InChI InChI=1S/C27H31NO3/c1-5-18-30-24-14-16-26(17-15-24)31-25-12-10-23(11-13-25)22-8-6-21(7-9-22)20(4)28-27(29)19(2)3/h6-17,19-20H,5,18H2,1-4H3,(H,28,29)
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n/an/a 188n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302367
PNG
(CHEMBL566680 | N-(1-(4'-(4-propoxyphenoxy)biphenyl...)
Show SMILES CCCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(=O)CC)cc1
Show InChI InChI=1S/C26H29NO3/c1-4-18-29-23-14-16-25(17-15-23)30-24-12-10-22(11-13-24)21-8-6-20(7-9-21)19(3)27-26(28)5-2/h6-17,19H,4-5,18H2,1-3H3,(H,27,28)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302364
PNG
(CHEMBL568362 | N-(1-(4'-(4-propoxyphenoxy)biphenyl...)
Show SMILES CCCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(=O)C(C)C)cc1
Show InChI InChI=1S/C27H31NO3/c1-5-18-30-24-14-16-26(17-15-24)31-25-12-10-23(11-13-25)22-8-6-21(7-9-22)20(4)28-27(29)19(2)3/h6-17,19-20H,5,18H2,1-4H3,(H,28,29)
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n/an/a 214n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302335
PNG
(CHEMBL566023 | ethyl 1-(4-(6-(4-propoxyphenoxy)pyr...)
Show SMILES CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(=O)OCC)cc1
Show InChI InChI=1S/C25H28N2O4/c1-4-16-30-22-11-13-23(14-12-22)31-24-15-10-21(17-26-24)20-8-6-19(7-9-20)18(3)27-25(28)29-5-2/h6-15,17-18H,4-5,16H2,1-3H3,(H,27,28)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302345
PNG
(CHEMBL565839 | N-(1-(4'-(4-(2-hydroxy-5,6,7,8-tetr...)
Show SMILES CC(NC(C)=O)c1ccc(cc1)-c1ccc(Oc2ccc(cc2)-c2c(O)ccc3CCCCc23)cc1
Show InChI InChI=1S/C32H31NO3/c1-21(33-22(2)34)23-7-9-24(10-8-23)25-11-16-28(17-12-25)36-29-18-13-27(14-19-29)32-30-6-4-3-5-26(30)15-20-31(32)35/h7-21,35H,3-6H2,1-2H3,(H,33,34)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302354
PNG
(CHEMBL568135 | N-(1-(4-(6-(4-ethoxyphenoxy)pyridin...)
Show SMILES CCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C23H24N2O3/c1-4-27-21-10-12-22(13-11-21)28-23-14-9-20(15-24-23)19-7-5-18(6-8-19)16(2)25-17(3)26/h5-16H,4H2,1-3H3,(H,25,26)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302361
PNG
(CHEMBL585108 | N-(1-(4'-(4-propoxyphenoxy)biphenyl...)
Show SMILES CCCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(=O)C2CC2)cc1
Show InChI InChI=1S/C27H29NO3/c1-3-18-30-24-14-16-26(17-15-24)31-25-12-10-22(11-13-25)21-6-4-20(5-7-21)19(2)28-27(29)23-8-9-23/h4-7,10-17,19,23H,3,8-9,18H2,1-2H3,(H,28,29)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302356
PNG
(CHEMBL566872 | N-(1-(4'-(4-isopropoxyphenoxy)-2-me...)
Show SMILES CC(C)Oc1ccc(Oc2ccc(cc2)-c2ccc(cc2C)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C26H29NO3/c1-17(2)29-23-11-13-25(14-12-23)30-24-9-6-21(7-10-24)26-15-8-22(16-18(26)3)19(4)27-20(5)28/h6-17,19H,1-5H3,(H,27,28)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302331
PNG
(CHEMBL567923 | N-(1-(4-(6-(4-propoxyphenoxy)pyridi...)
Show SMILES CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(=O)C2CC2)cc1
Show InChI InChI=1S/C26H28N2O3/c1-3-16-30-23-11-13-24(14-12-23)31-25-15-10-22(17-27-25)20-6-4-19(5-7-20)18(2)28-26(29)21-8-9-21/h4-7,10-15,17-18,21H,3,8-9,16H2,1-2H3,(H,28,29)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302347
PNG
(CHEMBL576037 | N-(1-(4'-(3-methoxyphenoxy)biphenyl...)
Show SMILES COc1cccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)c1
Show InChI InChI=1S/C23H23NO3/c1-16(24-17(2)25)18-7-9-19(10-8-18)20-11-13-21(14-12-20)27-23-6-4-5-22(15-23)26-3/h4-16H,1-3H3,(H,24,25)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302352
PNG
(CHEMBL566681 | N-(1-(4-(6-(4-isopropoxyphenoxy)pyr...)
Show SMILES CC(C)Oc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(C)=O)cc1
Show InChI InChI=1S/C24H26N2O3/c1-16(2)28-22-10-12-23(13-11-22)29-24-14-9-21(15-25-24)20-7-5-19(6-8-20)17(3)26-18(4)27/h5-17H,1-4H3,(H,26,27)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50302330
PNG
(CHEMBL586039 | N-(1-(4-(6-(4-propoxyphenoxy)pyridi...)
Show SMILES CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(=O)C(C)C)cc1
Show InChI InChI=1S/C26H30N2O3/c1-5-16-30-23-11-13-24(14-12-23)31-25-15-10-22(17-27-25)21-8-6-20(7-9-21)19(4)28-26(29)18(2)3/h6-15,17-19H,5,16H2,1-4H3,(H,28,29)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50302350
PNG
(CHEMBL567701 | N-(1-(4-(6-(4-propoxyphenoxy)pyridi...)
Show SMILES CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(=O)CC)cc1
Show InChI InChI=1S/C25H28N2O3/c1-4-16-29-22-11-13-23(14-12-22)30-25-15-10-21(17-26-25)20-8-6-19(7-9-20)18(3)27-24(28)5-2/h6-15,17-18H,4-5,16H2,1-3H3,(H,27,28)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay


Bioorg Med Chem Lett 19: 5872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.077
BindingDB Entry DOI: 10.7270/Q24J0F6F
More data for this
Ligand-Target Pair
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