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Compile Data Set for Download or QSAR

Found 96 hits Enz. Inhib. hit(s) with all data for entry = 50031535   
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))
BDBM50314930
PNG
(1-(2-(1-methyl-1H-pyrazol-3-yl)-1H-benzo[d]imidazo...)
Show SMILES Cn1ccc(n1)-c1nc2ccc(cc2[nH]1)C(=O)N1CCC2(CC1)CC(=O)c1cc(ncc1O2)-c1cnn(C)c1
Show InChI InChI=1S/C28H26N8O3/c1-34-8-5-21(33-34)26-31-20-4-3-17(11-23(20)32-26)27(38)36-9-6-28(7-10-36)13-24(37)19-12-22(29-15-25(19)39-28)18-14-30-35(2)16-18/h3-5,8,11-12,14-16H,6-7,9-10,13H2,1-2H3,(H,31,32)
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n/an/a 0.210n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50314931
PNG
(1-(7-methyl-1H-indazole-5-carbonyl)-6'-(1-methyl-1...)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1cc(ncc1O2)-c1cnn(C)c1
Show InChI InChI=1S/C25H24N6O3/c1-15-7-16(8-17-11-27-29-23(15)17)24(33)31-5-3-25(4-6-31)10-21(32)19-9-20(26-13-22(19)34-25)18-12-28-30(2)14-18/h7-9,11-14H,3-6,10H2,1-2H3,(H,27,29)
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50314932
PNG
(6'-methoxy-1-(7-methyl-1H-indazole-5-carbonyl)spir...)
Show SMILES COc1cc2C(=O)CC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)Oc2cn1
Show InChI InChI=1S/C22H22N4O4/c1-13-7-14(8-15-11-24-25-20(13)15)21(28)26-5-3-22(4-6-26)10-17(27)16-9-19(29-2)23-12-18(16)30-22/h7-9,11-12H,3-6,10H2,1-2H3,(H,24,25)
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n/an/a 0.310n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50314938
PNG
(5'-isopropoxy-1-(7-methyl-1H-indazole-5-carbonyl)s...)
Show SMILES CC(C)Oc1nccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c12
Show InChI InChI=1S/C24H26N4O4/c1-14(2)31-22-20-18(29)12-24(32-19(20)4-7-25-22)5-8-28(9-6-24)23(30)16-10-15(3)21-17(11-16)13-26-27-21/h4,7,10-11,13-14H,5-6,8-9,12H2,1-3H3,(H,26,27)
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n/an/a 4.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50314905
PNG
(1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol...)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1cc[nH]n1
Show InChI InChI=1S/C25H23N5O3/c1-15-10-17(11-18-14-27-29-23(15)18)24(32)30-8-5-25(6-9-30)13-21(31)19-12-16(2-3-22(19)33-25)20-4-7-26-28-20/h2-4,7,10-12,14H,5-6,8-9,13H2,1H3,(H,26,28)(H,27,29)
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n/an/a 4.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50314906
PNG
(1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1-methyl-1...)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1ccn(C)n1
Show InChI InChI=1S/C26H25N5O3/c1-16-11-18(12-19-15-27-28-24(16)19)25(33)31-9-6-26(7-10-31)14-22(32)20-13-17(3-4-23(20)34-26)21-5-8-30(2)29-21/h3-5,8,11-13,15H,6-7,9-10,14H2,1-2H3,(H,27,28)
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n/an/a 6.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50314929
PNG
(6-(3,5-dimethylisoxazol-4-yl)-1'-(7-methyl-1H-inda...)
Show SMILES Cc1noc(C)c1-c1ccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2c1
Show InChI InChI=1S/C27H26N4O4/c1-15-10-19(11-20-14-28-29-25(15)20)26(33)31-8-6-27(7-9-31)13-22(32)21-12-18(4-5-23(21)34-27)24-16(2)30-35-17(24)3/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,28,29)
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n/an/a 6.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50314925
PNG
(5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spir...)
Show SMILES COc1cccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c12
Show InChI InChI=1S/C23H23N3O4/c1-14-10-15(11-16-13-24-25-21(14)16)22(28)26-8-6-23(7-9-26)12-17(27)20-18(29-2)4-3-5-19(20)30-23/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,25)
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n/an/a 6.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314903
PNG
(1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol...)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1cn[nH]c1
Show InChI InChI=1S/C25H23N5O3/c1-15-8-17(9-18-12-28-29-23(15)18)24(32)30-6-4-25(5-7-30)11-21(31)20-10-16(2-3-22(20)33-25)19-13-26-27-14-19/h2-3,8-10,12-14H,4-7,11H2,1H3,(H,26,27)(H,28,29)
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n/an/a 7.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314904
PNG
(1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1-methyl-1...)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1cnn(C)c1
Show InChI InChI=1S/C26H25N5O3/c1-16-9-18(10-19-13-27-29-24(16)19)25(33)31-7-5-26(6-8-31)12-22(32)21-11-17(3-4-23(21)34-26)20-14-28-30(2)15-20/h3-4,9-11,13-15H,5-8,12H2,1-2H3,(H,27,29)
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n/an/a 7.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50314907
PNG
(1'-(7-methyl-1H-indazole-5-carbonyl)-6-(5-methyl-1...)
Show SMILES Cc1cc(n[nH]1)-c1ccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2c1
Show InChI InChI=1S/C26H25N5O3/c1-15-9-18(11-19-14-27-30-24(15)19)25(33)31-7-5-26(6-8-31)13-22(32)20-12-17(3-4-23(20)34-26)21-10-16(2)28-29-21/h3-4,9-12,14H,5-8,13H2,1-2H3,(H,27,30)(H,28,29)
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n/an/a 7.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50314888
PNG
(1'-(3,7-dimethyl-1H-indazole-5-carbonyl)-5-methoxy...)
Show SMILES COc1cccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]nc(C)c4c3)CC(=O)c12
Show InChI InChI=1S/C24H25N3O4/c1-14-11-16(12-17-15(2)25-26-22(14)17)23(29)27-9-7-24(8-10-27)13-18(28)21-19(30-3)5-4-6-20(21)31-24/h4-6,11-12H,7-10,13H2,1-3H3,(H,25,26)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50314894
PNG
(5-(5-methoxy-4-oxospiro[chroman-2,4'-piperidine]-1...)
Show SMILES CNC(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCC2(CC1)CC(=O)c1c(OC)cccc1O2
Show InChI InChI=1S/C25H25N3O5/c1-26-23(30)18-13-16-12-15(6-7-17(16)27-18)24(31)28-10-8-25(9-11-28)14-19(29)22-20(32-2)4-3-5-21(22)33-25/h3-7,12-13,27H,8-11,14H2,1-2H3,(H,26,30)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314943
PNG
(1-(3,7-dimethyl-1H-indazole-5-carbonyl)-5'-isoprop...)
Show SMILES CC(C)Oc1nccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]nc(C)c4c3)CC(=O)c12
Show InChI InChI=1S/C25H28N4O4/c1-14(2)32-23-21-19(30)13-25(33-20(21)5-8-26-23)6-9-29(10-7-25)24(31)17-11-15(3)22-18(12-17)16(4)27-28-22/h5,8,11-12,14H,6-7,9-10,13H2,1-4H3,(H,27,28)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50314897
PNG
(5-methoxy-1'-(2-(pyridin-2-yl)-1H-benzo[d]imidazol...)
Show SMILES COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)-c3ccccn3)CC(=O)c12
Show InChI InChI=1S/C27H24N4O4/c1-34-22-6-4-7-23-24(22)21(32)16-27(35-23)10-13-31(14-11-27)26(33)17-8-9-18-20(15-17)30-25(29-18)19-5-2-3-12-28-19/h2-9,12,15H,10-11,13-14,16H2,1H3,(H,29,30)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314929
PNG
(6-(3,5-dimethylisoxazol-4-yl)-1'-(7-methyl-1H-inda...)
Show SMILES Cc1noc(C)c1-c1ccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2c1
Show InChI InChI=1S/C27H26N4O4/c1-15-10-19(11-20-14-28-29-25(15)20)26(33)31-8-6-27(7-9-31)13-22(32)21-12-18(4-5-23(21)34-27)24-16(2)30-35-17(24)3/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,28,29)
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50314896
PNG
(5-methoxy-1'-(2-phenyl-1H-benzo[d]imidazole-5-carb...)
Show SMILES COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)-c3ccccc3)CC(=O)c12
Show InChI InChI=1S/C28H25N3O4/c1-34-23-8-5-9-24-25(23)22(32)17-28(35-24)12-14-31(15-13-28)27(33)19-10-11-20-21(16-19)30-26(29-20)18-6-3-2-4-7-18/h2-11,16H,12-15,17H2,1H3,(H,29,30)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50314895
PNG
(5-(5-methoxy-4-oxospiro[chroman-2,4'-piperidine]-1...)
Show SMILES COc1cccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]c(cc4c3)C(N)=O)CC(=O)c12
Show InChI InChI=1S/C25H25N3O5/c1-14-10-16(11-15-12-17(23(26)30)27-22(14)15)24(31)28-8-6-25(7-9-28)13-18(29)21-19(32-2)4-3-5-20(21)33-25/h3-5,10-12,27H,6-9,13H2,1-2H3,(H2,26,30)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50314889
PNG
(5-(5-methoxy-4-oxospiro[chroman-2,4'-piperidine]-1...)
Show SMILES COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)C(N)=O)CC(=O)c12
Show InChI InChI=1S/C23H22N4O5/c1-31-17-3-2-4-18-19(17)16(28)12-23(32-18)7-9-27(10-8-23)22(30)13-5-6-14-15(11-13)26-21(25-14)20(24)29/h2-6,11H,7-10,12H2,1H3,(H2,24,29)(H,25,26)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314896
PNG
(5-methoxy-1'-(2-phenyl-1H-benzo[d]imidazole-5-carb...)
Show SMILES COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)-c3ccccc3)CC(=O)c12
Show InChI InChI=1S/C28H25N3O4/c1-34-23-8-5-9-24-25(23)22(32)17-28(35-24)12-14-31(15-13-28)27(33)19-10-11-20-21(16-19)30-26(29-20)18-6-3-2-4-7-18/h2-11,16H,12-15,17H2,1H3,(H,29,30)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314928
PNG
(1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methylox...)
Show SMILES Cc1ncc(o1)-c1ccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2c1
Show InChI InChI=1S/C26H24N4O4/c1-15-9-18(10-19-13-28-29-24(15)19)25(32)30-7-5-26(6-8-30)12-21(31)20-11-17(3-4-22(20)34-26)23-14-27-16(2)33-23/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,28,29)
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n/an/a 17n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314886
PNG
(1'-(7-ethyl-1H-indazole-5-carbonyl)-6,7-dimethylsp...)
Show SMILES CCc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1cc(C)c(C)cc1O2
Show InChI InChI=1S/C25H27N3O3/c1-4-17-11-18(12-19-14-26-27-23(17)19)24(30)28-7-5-25(6-8-28)13-21(29)20-9-15(2)16(3)10-22(20)31-25/h9-12,14H,4-8,13H2,1-3H3,(H,26,27)
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n/an/a 17.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314907
PNG
(1'-(7-methyl-1H-indazole-5-carbonyl)-6-(5-methyl-1...)
Show SMILES Cc1cc(n[nH]1)-c1ccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2c1
Show InChI InChI=1S/C26H25N5O3/c1-15-9-18(11-19-14-27-30-24(15)19)25(33)31-7-5-26(6-8-31)13-22(32)20-12-17(3-4-23(20)34-26)21-10-16(2)28-29-21/h3-4,9-12,14H,5-8,13H2,1-2H3,(H,27,30)(H,28,29)
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n/an/a 18n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314905
PNG
(1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol...)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1cc[nH]n1
Show InChI InChI=1S/C25H23N5O3/c1-15-10-17(11-18-14-27-29-23(15)18)24(32)30-8-5-25(6-9-30)13-21(31)19-12-16(2-3-22(19)33-25)20-4-7-26-28-20/h2-4,7,10-12,14H,5-6,8-9,13H2,1H3,(H,26,28)(H,27,29)
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n/an/a 18n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50314898
PNG
(5-methoxy-1'-(2-(pyridin-3-yl)-1H-benzo[d]imidazol...)
Show SMILES COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)-c3cccnc3)CC(=O)c12
Show InChI InChI=1S/C27H24N4O4/c1-34-22-5-2-6-23-24(22)21(32)15-27(35-23)9-12-31(13-10-27)26(33)17-7-8-19-20(14-17)30-25(29-19)18-4-3-11-28-16-18/h2-8,11,14,16H,9-10,12-13,15H2,1H3,(H,29,30)
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n/an/a 19n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314927
PNG
(1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methylox...)
Show SMILES Cc1nc(co1)-c1ccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2c1
Show InChI InChI=1S/C26H24N4O4/c1-15-9-18(10-19-13-27-29-24(15)19)25(32)30-7-5-26(6-8-30)12-22(31)20-11-17(3-4-23(20)34-26)21-14-33-16(2)28-21/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,27,29)
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n/an/a 19n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314901
PNG
(5-methoxy-1'-(2-(1-methyl-1H-pyrazol-3-yl)-1H-benz...)
Show SMILES COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)-c3ccn(C)n3)CC(=O)c12
Show InChI InChI=1S/C26H25N5O4/c1-30-11-8-18(29-30)24-27-17-7-6-16(14-19(17)28-24)25(33)31-12-9-26(10-13-31)15-20(32)23-21(34-2)4-3-5-22(23)35-26/h3-8,11,14H,9-10,12-13,15H2,1-2H3,(H,27,28)
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n/an/a 19n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50314943
PNG
(1-(3,7-dimethyl-1H-indazole-5-carbonyl)-5'-isoprop...)
Show SMILES CC(C)Oc1nccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]nc(C)c4c3)CC(=O)c12
Show InChI InChI=1S/C25H28N4O4/c1-14(2)32-23-21-19(30)13-25(33-20(21)5-8-26-23)6-9-29(10-7-25)24(31)17-11-15(3)22-18(12-17)16(4)27-28-22/h5,8,11-12,14H,6-7,9-10,13H2,1-4H3,(H,27,28)
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n/an/a 20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314924
PNG
(6,7-dimethyl-1'-(7-methyl-1H-indazole-5-carbonyl)s...)
Show SMILES Cc1cc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2cc1C
Show InChI InChI=1S/C24H25N3O3/c1-14-9-19-20(28)12-24(30-21(19)10-15(14)2)4-6-27(7-5-24)23(29)17-8-16(3)22-18(11-17)13-25-26-22/h8-11,13H,4-7,12H2,1-3H3,(H,25,26)
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n/an/a 22n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314940
PNG
(5'-isobutoxy-1-(7-methyl-1H-indazole-5-carbonyl)sp...)
Show SMILES CC(C)COc1nccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c12
Show InChI InChI=1S/C25H28N4O4/c1-15(2)14-32-23-21-19(30)12-25(33-20(21)4-7-26-23)5-8-29(9-6-25)24(31)17-10-16(3)22-18(11-17)13-27-28-22/h4,7,10-11,13,15H,5-6,8-9,12,14H2,1-3H3,(H,27,28)
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n/an/a 23n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314931
PNG
(1-(7-methyl-1H-indazole-5-carbonyl)-6'-(1-methyl-1...)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1cc(ncc1O2)-c1cnn(C)c1
Show InChI InChI=1S/C25H24N6O3/c1-15-7-16(8-17-11-27-29-23(15)17)24(33)31-5-3-25(4-6-31)10-21(32)19-9-20(26-13-22(19)34-25)18-12-28-30(2)14-18/h7-9,11-14H,3-6,10H2,1-2H3,(H,27,29)
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n/an/a 24.6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314897
PNG
(5-methoxy-1'-(2-(pyridin-2-yl)-1H-benzo[d]imidazol...)
Show SMILES COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)-c3ccccn3)CC(=O)c12
Show InChI InChI=1S/C27H24N4O4/c1-34-22-6-4-7-23-24(22)21(32)16-27(35-23)10-13-31(14-11-27)26(33)17-8-9-18-20(15-17)30-25(29-18)19-5-2-3-12-28-19/h2-9,12,15H,10-11,13-14,16H2,1H3,(H,29,30)
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n/an/a 26n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314898
PNG
(5-methoxy-1'-(2-(pyridin-3-yl)-1H-benzo[d]imidazol...)
Show SMILES COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)-c3cccnc3)CC(=O)c12
Show InChI InChI=1S/C27H24N4O4/c1-34-22-5-2-6-23-24(22)21(32)15-27(35-23)9-12-31(13-10-27)26(33)17-7-8-19-20(14-17)30-25(29-19)18-4-3-11-28-16-18/h2-8,11,14,16H,9-10,12-13,15H2,1H3,(H,29,30)
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n/an/a 26n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314938
PNG
(5'-isopropoxy-1-(7-methyl-1H-indazole-5-carbonyl)s...)
Show SMILES CC(C)Oc1nccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c12
Show InChI InChI=1S/C24H26N4O4/c1-14(2)31-22-20-18(29)12-24(32-19(20)4-7-25-22)5-8-28(9-6-24)23(30)16-10-15(3)21-17(11-16)13-26-27-21/h4,7,10-11,13-14H,5-6,8-9,12H2,1-3H3,(H,26,27)
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Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50314927
PNG
(1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methylox...)
Show SMILES Cc1nc(co1)-c1ccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2c1
Show InChI InChI=1S/C26H24N4O4/c1-15-9-18(10-19-13-27-29-24(15)19)25(32)30-7-5-26(6-8-30)12-22(31)20-11-17(3-4-23(20)34-26)21-14-33-16(2)28-21/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,27,29)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314906
PNG
(1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1-methyl-1...)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1ccn(C)n1
Show InChI InChI=1S/C26H25N5O3/c1-16-11-18(12-19-15-27-28-24(16)19)25(33)31-9-6-26(7-10-31)14-22(32)20-13-17(3-4-23(20)34-26)21-5-8-30(2)29-21/h3-5,8,11-13,15H,6-7,9-10,14H2,1-2H3,(H,27,28)
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n/an/a 31n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314939
PNG
(5'-methoxy-7'-methyl-1-(7-methyl-1H-indazole-5-car...)
Show SMILES COc1nc(C)cc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c12
Show InChI InChI=1S/C23H24N4O4/c1-13-8-15(10-16-12-24-26-20(13)16)22(29)27-6-4-23(5-7-27)11-17(28)19-18(31-23)9-14(2)25-21(19)30-3/h8-10,12H,4-7,11H2,1-3H3,(H,24,26)
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n/an/a 34n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314889
PNG
(5-(5-methoxy-4-oxospiro[chroman-2,4'-piperidine]-1...)
Show SMILES COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)C(N)=O)CC(=O)c12
Show InChI InChI=1S/C23H22N4O5/c1-31-17-3-2-4-18-19(17)16(28)12-23(32-18)7-9-27(10-8-23)22(30)13-5-6-14-15(11-13)26-21(25-14)20(24)29/h2-6,11H,7-10,12H2,1H3,(H2,24,29)(H,25,26)
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n/an/a 35n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314926
PNG
(6,7-dimethyl-1'-(3-methyl-1H-indazole-6-carbonyl)s...)
Show SMILES Cc1n[nH]c2cc(ccc12)C(=O)N1CCC2(CC1)CC(=O)c1cc(C)c(C)cc1O2
Show InChI InChI=1S/C24H25N3O3/c1-14-10-19-21(28)13-24(30-22(19)11-15(14)2)6-8-27(9-7-24)23(29)17-4-5-18-16(3)25-26-20(18)12-17/h4-5,10-12H,6-9,13H2,1-3H3,(H,25,26)
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n/an/a 36n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50314928
PNG
(1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methylox...)
Show SMILES Cc1ncc(o1)-c1ccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2c1
Show InChI InChI=1S/C26H24N4O4/c1-15-9-18(10-19-13-28-29-24(15)19)25(32)30-7-5-26(6-8-30)12-21(31)20-11-17(3-4-22(20)34-26)23-14-27-16(2)33-23/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,28,29)
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n/an/a 39n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314888
PNG
(1'-(3,7-dimethyl-1H-indazole-5-carbonyl)-5-methoxy...)
Show SMILES COc1cccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]nc(C)c4c3)CC(=O)c12
Show InChI InChI=1S/C24H25N3O4/c1-14-11-16(12-17-15(2)25-26-22(14)17)23(29)27-9-7-24(8-10-27)13-18(28)21-19(30-3)5-4-6-20(21)31-24/h4-6,11-12H,7-10,13H2,1-3H3,(H,25,26)
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n/an/a 42n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314894
PNG
(5-(5-methoxy-4-oxospiro[chroman-2,4'-piperidine]-1...)
Show SMILES CNC(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCC2(CC1)CC(=O)c1c(OC)cccc1O2
Show InChI InChI=1S/C25H25N3O5/c1-26-23(30)18-13-16-12-15(6-7-17(16)27-18)24(31)28-10-8-25(9-11-28)14-19(29)22-20(32-2)4-3-5-21(22)33-25/h3-7,12-13,27H,8-11,14H2,1-2H3,(H,26,30)
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n/an/a 43n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50314924
PNG
(6,7-dimethyl-1'-(7-methyl-1H-indazole-5-carbonyl)s...)
Show SMILES Cc1cc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2cc1C
Show InChI InChI=1S/C24H25N3O3/c1-14-9-19-20(28)12-24(30-21(19)10-15(14)2)4-6-27(7-5-24)23(29)17-8-16(3)22-18(11-17)13-25-26-22/h8-11,13H,4-7,12H2,1-3H3,(H,25,26)
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n/an/a 48n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50314939
PNG
(5'-methoxy-7'-methyl-1-(7-methyl-1H-indazole-5-car...)
Show SMILES COc1nc(C)cc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c12
Show InChI InChI=1S/C23H24N4O4/c1-13-8-15(10-16-12-24-26-20(13)16)22(29)27-6-4-23(5-7-27)11-17(28)19-18(31-23)9-14(2)25-21(19)30-3/h8-10,12H,4-7,11H2,1-3H3,(H,24,26)
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n/an/a 48n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50314899
PNG
(5-methoxy-1'-(2-(pyridin-4-yl)-1H-benzo[d]imidazol...)
Show SMILES COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)-c3ccncc3)CC(=O)c12
Show InChI InChI=1S/C27H24N4O4/c1-34-22-3-2-4-23-24(22)21(32)16-27(35-23)9-13-31(14-10-27)26(33)18-5-6-19-20(15-18)30-25(29-19)17-7-11-28-12-8-17/h2-8,11-12,15H,9-10,13-14,16H2,1H3,(H,29,30)
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n/an/a 51n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314899
PNG
(5-methoxy-1'-(2-(pyridin-4-yl)-1H-benzo[d]imidazol...)
Show SMILES COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)-c3ccncc3)CC(=O)c12
Show InChI InChI=1S/C27H24N4O4/c1-34-22-3-2-4-23-24(22)21(32)16-27(35-23)9-13-31(14-10-27)26(33)18-5-6-19-20(15-18)30-25(29-19)17-7-11-28-12-8-17/h2-8,11-12,15H,9-10,13-14,16H2,1H3,(H,29,30)
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n/an/a 60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314942
PNG
(5'-ethoxy-1-(7-methyl-1H-indazole-5-carbonyl)spiro...)
Show SMILES CCOc1nccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c12
Show InChI InChI=1S/C23H24N4O4/c1-3-30-21-19-17(28)12-23(31-18(19)4-7-24-21)5-8-27(9-6-23)22(29)15-10-14(2)20-16(11-15)13-25-26-20/h4,7,10-11,13H,3,5-6,8-9,12H2,1-2H3,(H,25,26)
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n/an/a 61n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314895
PNG
(5-(5-methoxy-4-oxospiro[chroman-2,4'-piperidine]-1...)
Show SMILES COc1cccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]c(cc4c3)C(N)=O)CC(=O)c12
Show InChI InChI=1S/C25H25N3O5/c1-14-10-16(11-15-12-17(23(26)30)27-22(14)15)24(31)28-8-6-25(7-9-28)13-18(29)21-19(32-2)4-3-5-20(21)33-25/h3-5,10-12,27H,6-9,13H2,1-2H3,(H2,26,30)
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n/an/a 65n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Rattus norvegicus (Rat))
BDBM50314941
PNG
(5'-methoxy-1-(7-methyl-1H-indazole-5-carbonyl)spir...)
Show SMILES COc1nccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c12
Show InChI InChI=1S/C22H22N4O4/c1-13-9-14(10-15-12-24-25-19(13)15)21(28)26-7-4-22(5-8-26)11-16(27)18-17(30-22)3-6-23-20(18)29-2/h3,6,9-10,12H,4-5,7-8,11H2,1-2H3,(H,24,25)
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n/an/a 86n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
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 92n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair
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