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Compile Data Set for Download or QSAR

Found 6508 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
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM50248946
PNG
(CHEMBL1908392 | US10981896, Compound 16)
Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccccc23)c2ccccc2)cc1
Show InChI InChI=1S/C29H31N5O2/c1-32-16-18-34(19-17-32)20-26(35)33(2)23-14-12-22(13-15-23)30-28(21-8-4-3-5-9-21)27-24-10-6-7-11-25(24)31-29(27)36/h3-15,30H,16-20H2,1-2H3,(H,31,36)/b28-27-
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4.20n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed w...


US Patent US10981896 (2021)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM50248938
PNG
(CHEMBL4089284 | US10981896, Compound 21)
Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccc(cc23)C(O)=O)c2ccccc2)cc1
Show InChI InChI=1S/C30H31N5O4/c1-33-14-16-35(17-15-33)19-26(36)34(2)23-11-9-22(10-12-23)31-28(20-6-4-3-5-7-20)27-24-18-21(30(38)39)8-13-25(24)32-29(27)37/h3-13,18,31H,14-17,19H2,1-2H3,(H,32,37)(H,38,39)/b28-27-
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4.90n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed w...


US Patent US10981896 (2021)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM50248937
PNG
(CHEMBL4062168 | US10981896, Compound 15)
Show SMILES COC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-19-22(31(39)40-3)9-14-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-
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9.20n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed w...


US Patent US10981896 (2021)

More data for this
Ligand-Target Pair
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))
BDBM50069756
PNG
(CHEMBL3407547 | Firsocostat | ND-630 | NDI-010976 ...)
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 0.5n/an/an/an/an/an/a



NANJING SANHOME PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...


US Patent US11186587 (2021)

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))
BDBM527539
PNG
(US11186587, Example 22)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C29H34N4O9S2/c1-17-22-25(34)33(29(2,3)27(35)36)28(37)32(26(22)43-23(17)24-30-12-15-41-24)16-21(19-8-6-7-9-20(19)40-4)42-18-10-13-31(14-11-18)44(5,38)39/h6-9,12,15,18,21H,10-11,13-14,16H2,1-5H3,(H,35,36)
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n/an/a 0.630n/an/an/an/an/an/a



NANJING SANHOME PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...


US Patent US11186587 (2021)

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))
BDBM527001
PNG
(US11186587, Example 4)
Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n([C@H]2C[C@](C)(C2)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1
Show InChI InChI=1S/C30H33N3O8S/c1-17-23-26(34)33(18-14-30(2,15-18)28(35)36)29(37)32(27(23)42-24(17)25-31-10-13-40-25)16-22(41-19-8-11-39-12-9-19)20-6-4-5-7-21(20)38-3/h4-7,10,13,18-19,22H,8-9,11-12,14-16H2,1-3H3,(H,35,36)/t18-,22-,30+/m0/s1
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n/an/a 0.680n/an/an/an/an/an/a



NANJING SANHOME PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...


US Patent US11186587 (2021)

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


(Homo sapiens (Human))
BDBM526973
PNG
(US11186587, Example 1)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(C2CC(C2)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1
Show InChI InChI=1S/C29H31N3O8S/c1-16-23-26(33)32(18-13-17(14-18)28(34)35)29(36)31(27(23)41-24(16)25-30-9-12-39-25)15-22(40-19-7-10-38-11-8-19)20-5-3-4-6-21(20)37-2/h3-6,9,12,17-19,22H,7-8,10-11,13-15H2,1-2H3,(H,34,35)
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n/an/a 0.690n/an/an/an/an/an/a



NANJING SANHOME PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...


US Patent US11186587 (2021)

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


(Homo sapiens (Human))
BDBM527538
PNG
(US11186587, Example 21)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C32H36N4O8S/c1-18-24-28(38)36(32(2,3)30(39)40)31(41)35(29(24)45-25(18)26-33-13-16-43-26)17-23(21-7-5-6-8-22(21)42-4)44-20-11-14-34(15-12-20)27(37)19-9-10-19/h5-8,13,16,19-20,23H,9-12,14-15,17H2,1-4H3,(H,39,40)
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n/an/a 0.700n/an/an/an/an/an/a



NANJING SANHOME PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...


US Patent US11186587 (2021)

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))
BDBM527543
PNG
(US11186587, Example 26)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(-c2ccc(cc2OC)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1
Show InChI InChI=1S/C32H31N3O9S/c1-18-26-29(36)35(22-9-8-19(31(37)38)16-24(22)41-3)32(39)34(30(26)45-27(18)28-33-12-15-43-28)17-25(44-20-10-13-42-14-11-20)21-6-4-5-7-23(21)40-2/h4-9,12,15-16,20,25H,10-11,13-14,17H2,1-3H3,(H,37,38)
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n/an/a 0.870n/an/an/an/an/an/a



NANJING SANHOME PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...


US Patent US11186587 (2021)

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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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))
BDBM527537
PNG
(US11186587, Example 20)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CCN(CC1)C(C)=O
Show InChI InChI=1S/C30H34N4O8S/c1-17-23-26(36)34(30(3,4)28(37)38)29(39)33(27(23)43-24(17)25-31-12-15-41-25)16-22(20-8-6-7-9-21(20)40-5)42-19-10-13-32(14-11-19)18(2)35/h6-9,12,15,19,22H,10-11,13-14,16H2,1-5H3,(H,37,38)
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NANJING SANHOME PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...


US Patent US11186587 (2021)

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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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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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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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))
BDBM496979
PNG
(US10995099, Example 69)
Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(C2CCC2C(O)=O)c1=O)-c1ncco1)OC1CCOCC1
Show InChI InChI=1S/C29H31N3O8S/c1-16-23-26(33)32(20-8-7-18(20)28(34)35)29(36)31(27(23)41-24(16)25-30-11-14-39-25)15-22(40-17-9-12-38-13-10-17)19-5-3-4-6-21(19)37-2/h3-6,11,14,17-18,20,22H,7-10,12-13,15H2,1-2H3,(H,34,35)/t18?,20?,22-/m0/s1
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Nanjing Ruijie Pharmatech Co., Ltd.

US Patent


Assay Description
An exemplary procedure for the in vitro ACC inhibition assay, which can be used to determine the inhibitory action of compounds of the invention towa...


US Patent US10995099 (2021)

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


(Homo sapiens (Human))
BDBM496965
PNG
(US10995099, Example 55)
Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C1(CCCC1)C(O)=O)-n1nccn1)OC1CCOCC1
Show InChI InChI=1S/C29H33N5O7S/c1-18-23-24(35)33(29(27(36)37)11-5-6-12-29)28(38)32(26(23)42-25(18)34-30-13-14-31-34)17-22(41-19-9-15-40-16-10-19)20-7-3-4-8-21(20)39-2/h3-4,7-8,13-14,19,22H,5-6,9-12,15-17H2,1-2H3,(H,36,37)/t22-/m0/s1
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Nanjing Ruijie Pharmatech Co., Ltd.

US Patent


Assay Description
An exemplary procedure for the in vitro ACC inhibition assay, which can be used to determine the inhibitory action of compounds of the invention towa...


US Patent US10995099 (2021)

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


(Homo sapiens (Human))
BDBM489782
PNG
(US10995099, Example 26 | US10995099, Example 37)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C1(CCC1)C(O)=O)-c1ncco1)OC1CCOCC1
Show InChI InChI=1S/C29H31N3O8S/c1-17-22-25(33)32(29(27(34)35)10-5-11-29)28(36)31(26(22)41-23(17)24-30-12-15-39-24)16-21(40-18-8-13-38-14-9-18)19-6-3-4-7-20(19)37-2/h3-4,6-7,12,15,18,21H,5,8-11,13-14,16H2,1-2H3,(H,34,35)
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Nanjing Ruijie Pharmatech Co., Ltd.

US Patent


Assay Description
An exemplary procedure for the in vitro ACC inhibition assay, which can be used to determine the inhibitory action of compounds of the invention towa...


US Patent US10995099 (2021)

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


(Homo sapiens (Human))
BDBM50069756
PNG
(CHEMBL3407547 | Firsocostat | ND-630 | NDI-010976 ...)
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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Nanjing Ruijie Pharmatech Co., Ltd.

US Patent


Assay Description
An exemplary procedure for the in vitro ACC inhibition assay, which can be used to determine the inhibitory action of compounds of the invention towa...


US Patent US10995099 (2021)

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 1 (ACC1)


(Homo sapiens (Human))
BDBM496904
PNG
(US10995099, Example 42)
Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(N)=O)-c1ncco1)OC1CCOCC1
Show InChI InChI=1S/C28H32N4O7S/c1-16-21-24(33)32(28(2,3)26(29)34)27(35)31(25(21)40-22(16)23-30-11-14-38-23)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,(H2,29,34)/t20-/m0/s1
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Nanjing Ruijie Pharmatech Co., Ltd.

US Patent


Assay Description
An exemplary procedure for the in vitro ACC inhibition assay, which can be used to determine the inhibitory action of compounds of the invention towa...


US Patent US10995099 (2021)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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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))
BDBM489789
PNG
(US10995099, Example 33)
Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C1(CC1)C(O)=O)-c1ncco1)OC1CCOCC1
Show InChI InChI=1S/C28H29N3O8S/c1-16-21-24(32)31(28(9-10-28)26(33)34)27(35)30(25(21)40-22(16)23-29-11-14-38-23)15-20(39-17-7-12-37-13-8-17)18-5-3-4-6-19(18)36-2/h3-6,11,14,17,20H,7-10,12-13,15H2,1-2H3,(H,33,34)/t20-/m0/s1
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Nanjing Ruijie Pharmatech Co., Ltd.

US Patent


Assay Description
An exemplary procedure for the in vitro ACC inhibition assay, which can be used to determine the inhibitory action of compounds of the invention towa...


US Patent US10995099 (2021)

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


(Homo sapiens (Human))
BDBM526976
PNG
(US11186587, Example 3)
Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n([C@H]2C[C@@](C)(C2)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1
Show InChI InChI=1S/C30H33N3O8S/c1-17-23-26(34)33(18-14-30(2,15-18)28(35)36)29(37)32(27(23)42-24(17)25-31-10-13-40-25)16-22(41-19-8-11-39-12-9-19)20-6-4-5-7-21(20)38-3/h4-7,10,13,18-19,22H,8-9,11-12,14-16H2,1-3H3,(H,35,36)/t18-,22-,30-/m0/s1
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NANJING SANHOME PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...


US Patent US11186587 (2021)

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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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))
BDBM527016
PNG
(US11186587, Example 8)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(C2CN(C2)C(=O)C2CC2)c1=O)-c1ncco1)OC1CCOCC1
Show InChI InChI=1S/C31H34N4O7S/c1-18-25-29(37)35(20-15-33(16-20)28(36)19-7-8-19)31(38)34(30(25)43-26(18)27-32-11-14-41-27)17-24(42-21-9-12-40-13-10-21)22-5-3-4-6-23(22)39-2/h3-6,11,14,19-21,24H,7-10,12-13,15-17H2,1-2H3
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NANJING SANHOME PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...


US Patent US11186587 (2021)

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 1 (ACC1)


(Homo sapiens (Human))
BDBM527069
PNG
(US11186587, Example 12)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(C2CN(C2)C(=O)N2CCOCC2)c1=O)-c1ncco1)OC1CCOCC1
Show InChI InChI=1S/C32H37N5O8S/c1-20-26-29(38)37(21-17-35(18-21)31(39)34-10-15-43-16-11-34)32(40)36(30(26)46-27(20)28-33-9-14-44-28)19-25(45-22-7-12-42-13-8-22)23-5-3-4-6-24(23)41-2/h3-6,9,14,21-22,25H,7-8,10-13,15-19H2,1-2H3
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n/an/a 1.22n/an/an/an/an/an/a



NANJING SANHOME PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...


US Patent US11186587 (2021)

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))
BDBM50562563
PNG
(CHEMBL4777068)
Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3cc(nc4ccccc34)-c3ccc(N)cc3)CC(=O)c2n1
Show InChI InChI=1S/C30H31N5O3/c1-29(2,3)35-18-26-27(33-35)25(36)17-30(38-26)12-14-34(15-13-30)28(37)22-16-24(19-8-10-20(31)11-9-19)32-23-7-5-4-6-21(22)23/h4-11,16,18H,12-15,17,31H2,1-3H3
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n/an/a 1.30n/an/an/an/an/an/a



Xuzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...


Eur J Med Chem 212: (2021)

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


(Homo sapiens (Human))
BDBM527058
PNG
(US11186587, Example 10)
Show SMILES CCS(=O)(=O)N1CC(C1)n1c(=O)n(CC(OC2CCOCC2)c2ccccc2OC)c2sc(c(C)c2c1=O)-c1ncco1
Show InChI InChI=1S/C29H34N4O8S2/c1-4-43(36,37)31-15-19(16-31)33-27(34)24-18(2)25(26-30-11-14-40-26)42-28(24)32(29(33)35)17-23(41-20-9-12-39-13-10-20)21-7-5-6-8-22(21)38-3/h5-8,11,14,19-20,23H,4,9-10,12-13,15-17H2,1-3H3
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n/an/a 1.35n/an/an/an/an/an/a



NANJING SANHOME PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...


US Patent US11186587 (2021)

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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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))
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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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))
BDBM527545
PNG
(US11186587, Example 28)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(-c2cccc(C(O)=O)c2F)c1=O)-c1ncco1)OC1CCOCC1
Show InChI InChI=1S/C31H28FN3O8S/c1-17-24-28(36)35(21-8-5-7-20(25(21)32)30(37)38)31(39)34(29(24)44-26(17)27-33-12-15-42-27)16-23(43-18-10-13-41-14-11-18)19-6-3-4-9-22(19)40-2/h3-9,12,15,18,23H,10-11,13-14,16H2,1-2H3,(H,37,38)
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n/an/a 1.48n/an/an/an/an/an/a



NANJING SANHOME PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...


US Patent US11186587 (2021)

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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n/an/a 1.5n/an/an/an/an/an/a



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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n/an/a 1.5n/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))
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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n/an/a 1.55n/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))
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))
BDBM527542
PNG
(US11186587, Example 25)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(-c2cccc(c2)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1
Show InChI InChI=1S/C31H29N3O8S/c1-18-25-28(35)34(20-7-5-6-19(16-20)30(36)37)31(38)33(29(25)43-26(18)27-32-12-15-41-27)17-24(42-21-10-13-40-14-11-21)22-8-3-4-9-23(22)39-2/h3-9,12,15-16,21,24H,10-11,13-14,17H2,1-2H3,(H,36,37)
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n/an/a 1.57n/an/an/an/an/an/a



NANJING SANHOME PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...


US Patent US11186587 (2021)

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
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