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Compile Data Set for Download or QSAR

Found 6219 hits Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetyl-CoA carboxylase 2 (ACC2)


(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 Inc

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 (ACC2)


(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 Inc

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 (ACC2)


(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 Inc

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 (ACC1)


(Homo sapiens (Human))
BDBM459214
PNG
(2-[1-[2-[[(3aR,6aS)-5-methylsulfonyl-1,2,3,3a,4,5,...)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2C[C@@H](C[C@H]2C1)S(C)(=O)=O
Show InChI InChI=1S/C32H37N3O9S2/c1-17-25-28(36)35(32(2,3)30(37)38)31(39)34(29(25)45-26(17)27-33-10-11-43-27)16-24(22-8-6-7-9-23(22)42-4)44-20-12-18-14-21(46(5,40)41)15-19(18)13-20/h6-11,18-21,24H,12-16H2,1-5H3,(H,37,38)/t18-,19+,20-,21-,24?
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n/an/a 0.470n/an/an/an/an/an/a



Sunshine Lake Pharma Co., Ltd.

US Patent


Assay Description
a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...


US Patent US10759812 (2020)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50247130
PNG
(CHEMBL4073202)
Show SMILES C[C@@H](COc1cnc(o1)-c1ccc(Oc2cccc(OCC3CC3)c2)cc1)NC(N)=O
Show InChI InChI=1S/C23H25N3O5/c1-15(26-23(24)27)13-29-21-12-25-22(31-21)17-7-9-18(10-8-17)30-20-4-2-3-19(11-20)28-14-16-5-6-16/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H3,24,26,27)/t15-/m0/s1
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n/an/a 0.580n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ACC1 expressed in SF-9 cells preincubated for 60 mins followed by addition of substrate solution containing acetyl-Co...


J Med Chem 61: 1098-1117 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01547
BindingDB Entry DOI: 10.7270/Q2HQ429W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM459211
PNG
(2-[1-[2-[[(3aR,6aS)-5-cyclopropyl-5-hydroxy-2,3,3a...)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CC(O)(C[C@H]2C1)C1CC1
Show InChI InChI=1S/C34H39N3O8S/c1-18-26-29(38)37(33(2,3)31(39)40)32(41)36(30(26)46-27(18)28-35-11-12-44-28)17-25(23-7-5-6-8-24(23)43-4)45-22-13-19-15-34(42,21-9-10-21)16-20(19)14-22/h5-8,11-12,19-22,25,42H,9-10,13-17H2,1-4H3,(H,39,40)/t19-,20+,22-,25?,34?
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n/an/a 0.670n/an/an/an/an/an/a



Sunshine Lake Pharma Co., Ltd.

US Patent


Assay Description
a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...


US Patent US10759812 (2020)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50247081
PNG
(CHEMBL4060253)
Show SMILES CC(NC(C)=O)c1ccc2nc(oc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)nc1
Show InChI InChI=1S/C26H25N3O4/c1-16(28-17(2)30)19-8-10-23-24(12-19)33-26(29-23)20-9-11-25(27-14-20)32-22-5-3-4-21(13-22)31-15-18-6-7-18/h3-5,8-14,16,18H,6-7,15H2,1-2H3,(H,28,30)
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n/an/a 0.760n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACC1 in human HCT116 cells assessed as reduction of [14C]acetate uptake preincubated for 60 mins followed by addition of [14C]acetate a...


J Med Chem 61: 1098-1117 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01547
BindingDB Entry DOI: 10.7270/Q2HQ429W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM459201
PNG
(2-[1-[2-(2-methoxyphenyl)-2-[(2-methylsulfonyl-3,3...)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CC2CN(CC2C1)S(C)(=O)=O
Show InChI InChI=1S/C31H36N4O9S2/c1-17-24-27(36)35(31(2,3)29(37)38)30(39)34(28(24)45-25(17)26-32-10-11-43-26)16-23(21-8-6-7-9-22(21)42-4)44-20-12-18-14-33(46(5,40)41)15-19(18)13-20/h6-11,18-20,23H,12-16H2,1-5H3,(H,37,38)
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n/an/a 0.810n/an/an/an/an/an/a



Sunshine Lake Pharma Co., Ltd.

US Patent


Assay Description
a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...


US Patent US10759812 (2020)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM459208
PNG
(2-[1-[2-[[(3aR,6aS)-5-ethyl-5-hydroxy-2,3,3a,4,6,6...)
Show SMILES CCC1(O)C[C@@H]2C[C@@H](C[C@@H]2C1)OC(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)c1ccccc1OC
Show InChI InChI=1S/C33H39N3O8S/c1-6-33(41)15-19-13-21(14-20(19)16-33)44-24(22-9-7-8-10-23(22)42-5)17-35-29-25(18(2)26(45-29)27-34-11-12-43-27)28(37)36(31(35)40)32(3,4)30(38)39/h7-12,19-21,24,41H,6,13-17H2,1-5H3,(H,38,39)/t19-,20+,21-,24?,33?
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n/an/a 0.880n/an/an/an/an/an/a



Sunshine Lake Pharma Co., Ltd.

US Patent


Assay Description
a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...


US Patent US10759812 (2020)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM459206
PNG
(2-[1-[2-[[(3aR,6aS)-5-hydroxy-5-(trifluoromethyl)-...)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CC(O)(C[C@H]2C1)C(F)(F)F
Show InChI InChI=1S/C32H34F3N3O8S/c1-16-23-26(39)38(30(2,3)28(40)41)29(42)37(27(23)47-24(16)25-36-9-10-45-25)15-22(20-7-5-6-8-21(20)44-4)46-19-11-17-13-31(43,32(33,34)35)14-18(17)12-19/h5-10,17-19,22,43H,11-15H2,1-4H3,(H,40,41)/t17-,18+,19-,22?,31?
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n/an/a 0.890n/an/an/an/an/an/a



Sunshine Lake Pharma Co., Ltd.

US Patent


Assay Description
a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...


US Patent US10759812 (2020)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM459200
PNG
(2-[1-[2-[[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-oc...)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@@H]1C[C@@H]2C[C@H](O)C[C@@H]2C1
Show InChI InChI=1S/C31H35N3O8S/c1-16-24-27(36)34(31(2,3)29(37)38)30(39)33(28(24)43-25(16)26-32-9-10-41-26)15-23(21-7-5-6-8-22(21)40-4)42-20-13-17-11-19(35)12-18(17)14-20/h5-10,17-20,23,35H,11-15H2,1-4H3,(H,37,38)/t17-,18+,19-,20+,23?
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n/an/a 0.930n/an/an/an/an/an/a



Sunshine Lake Pharma Co., Ltd.

US Patent


Assay Description
a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...


US Patent US10759812 (2020)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50247112
PNG
(CHEMBL4085633)
Show SMILES C[C@@H](COc1cnc(o1)-c1ccc(Oc2cccc(OCC3CC3)c2)cc1)NC(C)=O
Show InChI InChI=1S/C24H26N2O5/c1-16(26-17(2)27)14-29-23-13-25-24(31-23)19-8-10-20(11-9-19)30-22-5-3-4-21(12-22)28-15-18-6-7-18/h3-5,8-13,16,18H,6-7,14-15H2,1-2H3,(H,26,27)/t16-/m0/s1
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n/an/a 0.960n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ACC1 expressed in SF-9 cells preincubated for 60 mins followed by addition of substrate solution containing acetyl-Co...


J Med Chem 61: 1098-1117 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01547
BindingDB Entry DOI: 10.7270/Q2HQ429W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50247114
PNG
(CHEMBL4086127)
Show SMILES C[C@@H](COc1cnc(o1)-c1ccc(Oc2cccc(OCC3CC3)c2)nc1)NC(C)=O
Show InChI InChI=1S/C23H25N3O5/c1-15(26-16(2)27)13-29-22-12-25-23(31-22)18-8-9-21(24-11-18)30-20-5-3-4-19(10-20)28-14-17-6-7-17/h3-5,8-12,15,17H,6-7,13-14H2,1-2H3,(H,26,27)/t15-/m0/s1
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n/an/a 0.960n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ACC1 expressed in SF-9 cells preincubated for 60 mins followed by addition of substrate solution containing acetyl-Co...


J Med Chem 61: 1098-1117 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01547
BindingDB Entry DOI: 10.7270/Q2HQ429W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152913
PNG
(US8993586, 109)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ccc(NC5CCC5)nc4c3)NC(=O)c2n1
Show InChI InChI=1S/C28H34N6O2/c1-27(2,3)34-17-20-16-28(31-25(35)24(20)32-34)11-13-33(14-12-28)26(36)19-8-7-18-9-10-23(30-22(18)15-19)29-21-5-4-6-21/h7-10,15,17,21H,4-6,11-14,16H2,1-3H3,(H,29,30)(H,31,35)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)


BindingDB Entry DOI: 10.7270/Q2N58K43
More data for this
Ligand-Target Pair
Biotin Carboxylase


(Escherichia coli (strain K12))
BDBM3436
PNG
(6-(2,6-Dibromo-phenyl)-pyrido[2,3-d]pyrimidine-2,7...)
Show SMILES Nc1ncc2cc(c(N)nc2n1)-c1c(Br)cccc1Br
Show InChI InChI=1S/C13H9Br2N5/c14-8-2-1-3-9(15)10(8)7-4-6-5-18-13(17)20-12(6)19-11(7)16/h1-5H,(H4,16,17,18,19,20)
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n/an/a<1n/an/an/an/a8.023



Pfizer Inc



Assay Description
Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the pla...


ACS Chem Biol 4: 473-83 (2009)


Article DOI: 10.1021/cb9000102
BindingDB Entry DOI: 10.7270/Q2WM1BR8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50439646
PNG
(CHEMBL2419600 | US8993586, 110)
Show SMILES CCCNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C27H34N6O2/c1-5-12-28-22-9-8-18-6-7-19(15-21(18)29-22)25(35)32-13-10-27(11-14-32)16-20-17-33(26(2,3)4)31-23(20)24(34)30-27/h6-9,15,17H,5,10-14,16H2,1-4H3,(H,28,29)(H,30,34)
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)


BindingDB Entry DOI: 10.7270/Q2N58K43
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase


(Homo sapiens (Human))
BDBM459211
PNG
(2-[1-[2-[[(3aR,6aS)-5-cyclopropyl-5-hydroxy-2,3,3a...)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CC(O)(C[C@H]2C1)C1CC1
Show InChI InChI=1S/C34H39N3O8S/c1-18-26-29(38)37(33(2,3)31(39)40)32(41)36(30(26)46-27(18)28-35-11-12-44-28)17-25(23-7-5-6-8-24(23)43-4)45-22-13-19-15-34(42,21-9-10-21)16-20(19)14-22/h5-8,11-12,19-22,25,42H,9-10,13-17H2,1-4H3,(H,39,40)/t19-,20+,22-,25?,34?
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n/an/a 1.13n/an/an/an/an/an/a



Sunshine Lake Pharma Co., Ltd.

US Patent


Assay Description
a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...


US Patent US10759812 (2020)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM459215
PNG
(2-[1-[2-[[(1S,3S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-...)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CO[C@@H](C1)O2
Show InChI InChI=1S/C29H31N3O9S/c1-15-22-25(33)32(29(2,3)27(34)35)28(36)31(26(22)42-23(15)24-30-9-10-38-24)13-20(18-7-5-6-8-19(18)37-4)40-16-11-17-14-39-21(12-16)41-17/h5-10,16-17,20-21H,11-14H2,1-4H3,(H,34,35)/t16-,17?,20?,21?/m0/s1
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n/an/a 1.21n/an/an/an/an/an/a



Sunshine Lake Pharma Co., Ltd.

US Patent


Assay Description
a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...


US Patent US10759812 (2020)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50426521
PNG
(CHEMBL2323626)
Show SMILES CNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)C2)C(C)(C)C
Show InChI InChI=1S/C26H31N5O2/c1-25(2,3)31-16-19-14-26(15-21(32)23(19)29-31)9-11-30(12-10-26)24(33)18-6-5-17-7-8-22(27-4)28-20(17)13-18/h5-8,13,16H,9-12,14-15H2,1-4H3,(H,27,28)
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n/an/a 1.30n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2


ACS Med Chem Lett 4: 16-7 (2013)


Article DOI: 10.1021/ml3004044
BindingDB Entry DOI: 10.7270/Q2833TBP
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM459212
PNG
(2-[1-[2-[[(3aR,6aS)-5-cyano-5-hydroxy-2,3,3a,4,6,6...)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CC(O)(C[C@H]2C1)C#N
Show InChI InChI=1S/C32H34N4O8S/c1-17-24-27(37)36(31(2,3)29(38)39)30(40)35(28(24)45-25(17)26-34-9-10-43-26)15-23(21-7-5-6-8-22(21)42-4)44-20-11-18-13-32(41,16-33)14-19(18)12-20/h5-10,18-20,23,41H,11-15H2,1-4H3,(H,38,39)/t18-,19+,20-,23?,32?
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n/an/a 1.43n/an/an/an/an/an/a



Sunshine Lake Pharma Co., Ltd.

US Patent


Assay Description
a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...


US Patent US10759812 (2020)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM459203
PNG
(2-[1-[2-[[(3aR,6aS)-5-hydroxy-5-methyl-2,3,3a,4,6,...)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CC(C)(O)C[C@H]2C1
Show InChI InChI=1S/C32H37N3O8S/c1-17-24-27(36)35(31(2,3)29(37)38)30(39)34(28(24)44-25(17)26-33-10-11-42-26)16-23(21-8-6-7-9-22(21)41-5)43-20-12-18-14-32(4,40)15-19(18)13-20/h6-11,18-20,23,40H,12-16H2,1-5H3,(H,37,38)/t18-,19+,20-,23?,32?
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Sunshine Lake Pharma Co., Ltd.

US Patent


Assay Description
a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...


US Patent US10759812 (2020)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM459209
PNG
(2-[1-[2-[[(3aR,6aS)-5,5-difluoro-2,3,3a,4,6,6a-hex...)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CC(F)(F)C[C@H]2C1
Show InChI InChI=1S/C31H33F2N3O7S/c1-16-23-26(37)36(30(2,3)28(38)39)29(40)35(27(23)44-24(16)25-34-9-10-42-25)15-22(20-7-5-6-8-21(20)41-4)43-19-11-17-13-31(32,33)14-18(17)12-19/h5-10,17-19,22H,11-15H2,1-4H3,(H,38,39)/t17-,18+,19-,22?
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Sunshine Lake Pharma Co., Ltd.

US Patent


Assay Description
a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...


US Patent US10759812 (2020)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50529222
PNG
(CHEMBL4528475)
Show SMILES CC(NC(N)=O)c1ccc2nc(oc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)nc1
Show InChI InChI=1S/C25H24N4O4/c1-15(28-25(26)30)17-7-9-21-22(11-17)33-24(29-21)18-8-10-23(27-13-18)32-20-4-2-3-19(12-20)31-14-16-5-6-16/h2-4,7-13,15-16H,5-6,14H2,1H3,(H3,26,28,30)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged ACC1 expressed in baculovirus infected SF9 cells using acetyl-CoA as substrate incubated for 60 mins follo...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126749
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50439642
PNG
(CHEMBL2419589 | US8993586, 105)
Show SMILES CN(C)c1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C26H32N6O2/c1-25(2,3)32-16-19-15-26(28-23(33)22(19)29-32)10-12-31(13-11-26)24(34)18-7-6-17-8-9-21(30(4)5)27-20(17)14-18/h6-9,14,16H,10-13,15H2,1-5H3,(H,28,33)
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Pfizer Inc

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)


BindingDB Entry DOI: 10.7270/Q2N58K43
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM459210
PNG
(2-[1-[2-[[(2S,3aS,6aR)-4,5-dihydroxy-1,2,3,3a,4,5,...)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CC(O)C(O)[C@H]2C1
Show InChI InChI=1S/C31H35N3O9S/c1-15-23-27(37)34(31(2,3)29(38)39)30(40)33(28(23)44-25(15)26-32-9-10-42-26)14-22(18-7-5-6-8-21(18)41-4)43-17-11-16-12-20(35)24(36)19(16)13-17/h5-10,16-17,19-20,22,24,35-36H,11-14H2,1-4H3,(H,38,39)/t16-,17-,19-,20?,22?,24?/m0/s1
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Sunshine Lake Pharma Co., Ltd.

US Patent


Assay Description
a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...


US Patent US10759812 (2020)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM459213
PNG
(2-[1-[2-[[(3aS,6aR)-5-(cyanomethyl)-5-hydroxy-2,3,...)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CC(O)(CC#N)C[C@H]2C1
Show InChI InChI=1S/C33H36N4O8S/c1-18-25-28(38)37(32(2,3)30(39)40)31(41)36(29(25)46-26(18)27-35-11-12-44-27)17-24(22-7-5-6-8-23(22)43-4)45-21-13-19-15-33(42,9-10-34)16-20(19)14-21/h5-8,11-12,19-21,24,42H,9,13-17H2,1-4H3,(H,39,40)/t19-,20+,21-,24?,33?
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n/an/a 1.56n/an/an/an/an/an/a



Sunshine Lake Pharma Co., Ltd.

US Patent


Assay Description
a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...


US Patent US10759812 (2020)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM459204
PNG
(2-[1-[2-[(5-cyano-1,2,3,3a,4,5,6,6a-octahydropenta...)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CC(C[C@H]2C1)C#N
Show InChI InChI=1S/C32H34N4O7S/c1-17-25-28(37)36(32(2,3)30(38)39)31(40)35(29(25)44-26(17)27-34-9-10-42-27)16-24(22-7-5-6-8-23(22)41-4)43-21-13-19-11-18(15-33)12-20(19)14-21/h5-10,18-21,24H,11-14,16H2,1-4H3,(H,38,39)/t18?,19-,20+,21+,24?
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n/an/a 1.64n/an/an/an/an/an/a



Sunshine Lake Pharma Co., Ltd.

US Patent


Assay Description
a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...


US Patent US10759812 (2020)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50069756
PNG
(CHEMBL3407547)
Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CCOCC1
Show InChI InChI=1S/C28H31N3O8S/c1-16-21-24(32)31(28(2,3)26(33)34)27(35)30(25(21)40-22(16)23-29-11-14-38-23)15-20(39-17-9-12-37-13-10-17)18-7-5-6-8-19(18)36-4/h5-8,11,14,17,20H,9-10,12-13,15H2,1-4H3,(H,33,34)/t20-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Terns Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ACC1 (unknown origin)


J Med Chem 63: 5031-5073 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01701
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50439643
PNG
(CHEMBL2419598 | US8993586, 76)
Show SMILES CNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H30N6O2/c1-24(2,3)31-15-18-14-25(28-22(32)21(18)29-31)9-11-30(12-10-25)23(33)17-6-5-16-7-8-20(26-4)27-19(16)13-17/h5-8,13,15H,9-12,14H2,1-4H3,(H,26,27)(H,28,32)
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)


BindingDB Entry DOI: 10.7270/Q2N58K43
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152927
PNG
(US8993586, 125)
Show SMILES CC(F)(F)CNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C27H32F2N6O2/c1-25(2,3)35-15-19-14-27(32-23(36)22(19)33-35)9-11-34(12-10-27)24(37)18-6-5-17-7-8-21(31-20(17)13-18)30-16-26(4,28)29/h5-8,13,15H,9-12,14,16H2,1-4H3,(H,30,31)(H,32,36)
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Pfizer Inc

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)


BindingDB Entry DOI: 10.7270/Q2N58K43
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50069756
PNG
(CHEMBL3407547)
Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CCOCC1
Show InChI InChI=1S/C28H31N3O8S/c1-16-21-24(32)31(28(2,3)26(33)34)27(35)30(25(21)40-22(16)23-29-11-14-38-23)15-20(39-17-9-12-37-13-10-17)18-7-5-6-8-19(18)36-4/h5-8,11,14,17,20H,9-10,12-13,15H2,1-4H3,(H,33,34)/t20-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant His-tagged ACC2 assessed as malonyl-CoA level


J Med Chem 58: 525-36 (2015)


Article DOI: 10.1021/jm500695e
BindingDB Entry DOI: 10.7270/Q2DR2X6J
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50439646
PNG
(CHEMBL2419600 | US8993586, 110)
Show SMILES CCCNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C27H34N6O2/c1-5-12-28-22-9-8-18-6-7-19(15-21(18)29-22)25(35)32-13-10-27(11-14-32)16-20-17-33(26(2,3)4)31-23(20)24(34)30-27/h6-9,15,17H,5,10-14,16H2,1-4H3,(H,28,29)(H,30,34)
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human ACC2 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...


J Med Chem 56: 7110-9 (2013)


Article DOI: 10.1021/jm401033t
BindingDB Entry DOI: 10.7270/Q2JW8G9D
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152926
PNG
(US8993586, 124)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ccc(NCC(F)(F)F)nc4c3)NC(=O)c2n1
Show InChI InChI=1S/C26H29F3N6O2/c1-24(2,3)35-14-18-13-25(32-22(36)21(18)33-35)8-10-34(11-9-25)23(37)17-5-4-16-6-7-20(31-19(16)12-17)30-15-26(27,28)29/h4-7,12,14H,8-11,13,15H2,1-3H3,(H,30,31)(H,32,36)
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n/an/a 1.72n/an/an/an/an/an/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)


BindingDB Entry DOI: 10.7270/Q2N58K43
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM459202
PNG
(2-[1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenteno[c...)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CC2COCC2C1
Show InChI InChI=1S/C30H33N3O8S/c1-16-23-26(34)33(30(2,3)28(35)36)29(37)32(27(23)42-24(16)25-31-9-10-40-25)13-22(20-7-5-6-8-21(20)38-4)41-19-11-17-14-39-15-18(17)12-19/h5-10,17-19,22H,11-15H2,1-4H3,(H,35,36)
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Sunshine Lake Pharma Co., Ltd.

US Patent


Assay Description
a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...


US Patent US10759812 (2020)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase


(Homo sapiens (Human))
BDBM459201
PNG
(2-[1-[2-(2-methoxyphenyl)-2-[(2-methylsulfonyl-3,3...)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CC2CN(CC2C1)S(C)(=O)=O
Show InChI InChI=1S/C31H36N4O9S2/c1-17-24-27(36)35(31(2,3)29(37)38)30(39)34(28(24)45-25(17)26-32-10-11-43-26)16-23(21-8-6-7-9-22(21)42-4)44-20-12-18-14-33(46(5,40)41)15-19(18)13-20/h6-11,18-20,23H,12-16H2,1-5H3,(H,37,38)
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n/an/a 1.76n/an/an/an/an/an/a



Sunshine Lake Pharma Co., Ltd.

US Patent


Assay Description
a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...


US Patent US10759812 (2020)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152915
PNG
(US8993586, 112)
Show SMILES CCNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C26H32N6O2/c1-5-27-21-9-8-17-6-7-18(14-20(17)28-21)24(34)31-12-10-26(11-13-31)15-19-16-32(25(2,3)4)30-22(19)23(33)29-26/h6-9,14,16H,5,10-13,15H2,1-4H3,(H,27,28)(H,29,33)
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)


BindingDB Entry DOI: 10.7270/Q2N58K43
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50439646
PNG
(CHEMBL2419600 | US8993586, 110)
Show SMILES CCCNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C27H34N6O2/c1-5-12-28-22-9-8-18-6-7-19(15-21(18)29-22)25(35)32-13-10-27(11-14-32)16-20-17-33(26(2,3)4)31-23(20)24(34)30-27/h6-9,15,17H,5,10-14,16H2,1-4H3,(H,28,29)(H,30,34)
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human ACC1 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...


J Med Chem 56: 7110-9 (2013)


Article DOI: 10.1021/jm401033t
BindingDB Entry DOI: 10.7270/Q2JW8G9D
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50247081
PNG
(CHEMBL4060253)
Show SMILES CC(NC(C)=O)c1ccc2nc(oc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)nc1
Show InChI InChI=1S/C26H25N3O4/c1-16(28-17(2)30)19-8-10-23-24(12-19)33-26(29-23)20-9-11-25(27-14-20)32-22-5-3-4-21(13-22)31-15-18-6-7-18/h3-5,8-14,16,18H,6-7,15H2,1-2H3,(H,28,30)
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n/an/a 1.80n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ACC1 expressed in SF-9 cells preincubated for 60 mins followed by addition of substrate solution containing acetyl-Co...


J Med Chem 61: 1098-1117 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01547
BindingDB Entry DOI: 10.7270/Q2HQ429W
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50247081
PNG
(CHEMBL4060253)
Show SMILES CC(NC(C)=O)c1ccc2nc(oc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)nc1
Show InChI InChI=1S/C26H25N3O4/c1-16(28-17(2)30)19-8-10-23-24(12-19)33-26(29-23)20-9-11-25(27-14-20)32-22-5-3-4-21(13-22)31-15-18-6-7-18/h3-5,8-14,16,18H,6-7,15H2,1-2H3,(H,28,30)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged ACC1 expressed in baculovirus infected SF9 cells using acetyl-CoA as substrate incubated for 60 mins follo...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126749
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152877
PNG
(US8993586, 56)
Show SMILES COc1ccc(C)c2[nH]c(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H31N5O3/c1-15-6-7-19(33-5)17-12-18(26-20(15)17)23(32)29-10-8-25(9-11-29)13-16-14-30(24(2,3)4)28-21(16)22(31)27-25/h6-7,12,14,26H,8-11,13H2,1-5H3,(H,27,31)
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n/an/a 1.90n/an/an/an/an/an/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)


BindingDB Entry DOI: 10.7270/Q2N58K43
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase


(Homo sapiens (Human))
BDBM50462049
PNG
(CHEMBL4225405)
Show SMILES CCOc1nc2ccc(Oc3ccc(\C=C\[C@H](C)NC(C)=O)cn3)c(Cl)c2s1
Show InChI InChI=1S/C20H20ClN3O3S/c1-4-26-20-24-15-8-9-16(18(21)19(15)28-20)27-17-10-7-14(11-22-17)6-5-12(2)23-13(3)25/h5-12H,4H2,1-3H3,(H,23,25)/b6-5+/t12-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ACC2 assessed as reduction in conversion of acetyl-CoA to malonyl-CoA incubated for 1 to 3 hrs with substrate by MALD...


Bioorg Med Chem Lett 28: 2498-2503 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.055
BindingDB Entry DOI: 10.7270/Q20V8GFW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307424
PNG
(US10150728, Example I-655)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC3)c(Cl)c2n1C)NC(C)=O
Show InChI InChI=1S/C22H29ClFN3O4/c1-12(25-13(2)28)11-29-14-4-6-16(7-5-14)31-22-26-20-17(24)10-18(30-15-8-9-15)19(23)21(20)27(22)3/h10,12,14-16H,4-9,11H2,1-3H3,(H,25,28)/t12-,14-,16-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)


BindingDB Entry DOI: 10.7270/Q2WD42M7
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307410
PNG
(US10150728, Example I-639)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CCC3)c(F)c2n1C)NC(C)=O
Show InChI InChI=1S/C23H31F2N3O4/c1-13(26-14(2)29)12-30-15-7-9-17(10-8-15)32-23-27-21-18(24)11-19(31-16-5-4-6-16)20(25)22(21)28(23)3/h11,13,15-17H,4-10,12H2,1-3H3,(H,26,29)/t13-,15-,17-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)


BindingDB Entry DOI: 10.7270/Q2WD42M7
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152867
PNG
(US8993586, 45)
Show SMILES CC1=NNC2C1C=C(C=C2C)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C24H32N6O2/c1-14-10-16(11-18-15(2)26-27-19(14)18)22(32)29-8-6-24(7-9-29)12-17-13-30(23(3,4)5)28-20(17)21(31)25-24/h10-11,13,18-19,27H,6-9,12H2,1-5H3,(H,25,31)
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)


BindingDB Entry DOI: 10.7270/Q2N58K43
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152900
PNG
(US8993586, 87)
Show SMILES COc1cc(cc2c(C)n[nH]c12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C24H30N6O3/c1-14-17-10-15(11-18(33-5)20(17)27-26-14)22(32)29-8-6-24(7-9-29)12-16-13-30(23(2,3)4)28-19(16)21(31)25-24/h10-11,13H,6-9,12H2,1-5H3,(H,25,31)(H,26,27)
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)


BindingDB Entry DOI: 10.7270/Q2N58K43
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM152882
PNG
(US8993586, 62)
Show SMILES Cc1cc(cc2c(Cl)n[nH]c12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C23H27ClN6O2/c1-13-9-14(10-16-17(13)26-27-19(16)24)21(32)29-7-5-23(6-8-29)11-15-12-30(22(2,3)4)28-18(15)20(31)25-23/h9-10,12H,5-8,11H2,1-4H3,(H,25,31)(H,26,27)
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)


BindingDB Entry DOI: 10.7270/Q2N58K43
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50426523
PNG
(CHEMBL2323628)
Show SMILES COc1ccc2ncc(cc2c1)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2
Show InChI InChI=1S/C25H28N4O3/c1-16(2)29-23-19(15-27-29)12-25(13-22(23)30)6-8-28(9-7-25)24(31)18-10-17-11-20(32-3)4-5-21(17)26-14-18/h4-5,10-11,14-16H,6-9,12-13H2,1-3H3
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n/an/a 2.10n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2


ACS Med Chem Lett 4: 16-7 (2013)


Article DOI: 10.1021/ml3004044
BindingDB Entry DOI: 10.7270/Q2833TBP
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase


(Homo sapiens (Human))
BDBM50462060
PNG
(CHEMBL4229067)
Show SMILES C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3nc(sc3c2F)C(C)C)nc1
Show InChI InChI=1S/C21H22FN3O2S/c1-12(2)21-25-16-8-9-17(19(22)20(16)28-21)27-18-10-7-15(11-23-18)6-5-13(3)24-14(4)26/h5-13H,1-4H3,(H,24,26)/b6-5+/t13-/m0/s1
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Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ACC2 assessed as reduction in conversion of acetyl-CoA to malonyl-CoA incubated for 1 to 3 hrs with substrate by MALD...


Bioorg Med Chem Lett 28: 2498-2503 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.055
BindingDB Entry DOI: 10.7270/Q20V8GFW
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50529224
PNG
(CHEMBL4435891)
Show SMILES CC(NC(=O)N(C)C)c1ccc2nc(oc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)nc1
Show InChI InChI=1S/C27H28N4O4/c1-17(29-27(32)31(2)3)19-9-11-23-24(13-19)35-26(30-23)20-10-12-25(28-15-20)34-22-6-4-5-21(14-22)33-16-18-7-8-18/h4-6,9-15,17-18H,7-8,16H2,1-3H3,(H,29,32)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged ACC1 expressed in baculovirus infected SF9 cells using acetyl-CoA as substrate incubated for 60 mins follo...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126749
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase


(Homo sapiens (Human))
BDBM459214
PNG
(2-[1-[2-[[(3aR,6aS)-5-methylsulfonyl-1,2,3,3a,4,5,...)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2C[C@@H](C[C@H]2C1)S(C)(=O)=O
Show InChI InChI=1S/C32H37N3O9S2/c1-17-25-28(36)35(32(2,3)30(37)38)31(39)34(29(25)45-26(17)27-33-10-11-43-27)16-24(22-8-6-7-9-23(22)42-4)44-20-12-18-14-21(46(5,40)41)15-19(18)13-20/h6-11,18-21,24H,12-16H2,1-5H3,(H,37,38)/t18-,19+,20-,21-,24?
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n/an/a 2.19n/an/an/an/an/an/a



Sunshine Lake Pharma Co., Ltd.

US Patent


Assay Description
a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...


US Patent US10759812 (2020)

More data for this
Ligand-Target Pair
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