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16 similar compounds to monomer 152889

Compile data set for download or QSAR
Wt: 432.5
BDBM152822
Wt: 462.5
BDBM152839
Wt: 449.5
BDBM152877
Wt: 447.5
BDBM152887
Wt: 446.5
BDBM152868
Wt: 447.5
BDBM152870
Wt: 432.5
BDBM152879
Wt: 446.5
BDBM152871
Wt: 446.5
BDBM152872
Wt: 447.5
BDBM152892
Wt: 417.5
BDBM152883
Wt: 447.5
BDBM152902
Wt: 447.5
BDBM152904
Wt: 406.4
BDBM50439627
Wt: 447.5
BDBM50439629
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 152822,152839,152877,152887,152868,152870,152879,152871,152872,152892,152883,152902,152904,50439627,50439629   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM152839
PNG
(US8993586, 17)
Show SMILES COc1cccc2c(OC)cc(cc12)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)N2
Show InChI InChI=1S/C26H30N4O4/c1-16(2)30-23-18(15-27-30)14-26(28-24(23)31)8-10-29(11-9-26)25(32)17-12-20-19(22(13-17)34-4)6-5-7-21(20)33-3/h5-7,12-13,15-16H,8-11,14H2,1-4H3,(H,28,31)
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n/an/a 72n/an/an/an/a7.5n/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC1. Two liters of SF9 cells, infected with recombinant baculovirus containing full length human ACC1 cDNA, were suspended in ice-c...


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))
BDBM50439629
PNG
(CHEMBL2419595 | US8993586, 102)
Show SMILES COc1cc2cc(ccc2cn1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H29N5O3/c1-24(2,3)30-15-19-13-25(27-22(31)21(19)28-30)7-9-29(10-8-25)23(32)16-5-6-17-14-26-20(33-4)12-18(17)11-16/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,27,31)
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n/an/a 29n/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 1 (ACC1)


(Homo sapiens (Human))
BDBM152870
PNG
(US8993586, 48)
Show SMILES COc1ccc2ncc(cc2c1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H29N5O3/c1-24(2,3)30-15-18-13-25(27-22(31)21(18)28-30)7-9-29(10-8-25)23(32)17-11-16-12-19(33-4)5-6-20(16)26-14-17/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,27,31)
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n/an/a 30n/an/an/an/a7.5n/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC1. Two liters of SF9 cells, infected with recombinant baculovirus containing full length human ACC1 cDNA, were suspended in ice-c...


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))
BDBM152871
PNG
(US8993586, 49)
Show SMILES COc1ccc2ccc(cc2c1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C26H30N4O3/c1-25(2,3)30-16-20-15-26(27-23(31)22(20)28-30)9-11-29(12-10-26)24(32)18-6-5-17-7-8-21(33-4)14-19(17)13-18/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,27,31)
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n/an/a 8.5n/an/an/an/a7.5n/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC1. Two liters of SF9 cells, infected with recombinant baculovirus containing full length human ACC1 cDNA, were suspended in ice-c...


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))
BDBM152872
PNG
(US8993586, 50)
Show SMILES COc1cccc2cc(ccc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C26H30N4O3/c1-25(2,3)30-16-19-15-26(27-23(31)22(19)28-30)10-12-29(13-11-26)24(32)18-8-9-20-17(14-18)6-5-7-21(20)33-4/h5-9,14,16H,10-13,15H2,1-4H3,(H,27,31)
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n/an/a 30n/an/an/an/a7.5n/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC1. Two liters of SF9 cells, infected with recombinant baculovirus containing full length human ACC1 cDNA, were suspended in ice-c...


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))
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 7.40n/an/an/an/a7.5n/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC1. Two liters of SF9 cells, infected with recombinant baculovirus containing full length human ACC1 cDNA, were suspended in ice-c...


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))
BDBM152879
PNG
(US8993586, 59)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4cnc(N)cc4c3)NC(=O)c2n1
Show InChI InChI=1S/C24H28N6O2/c1-23(2,3)30-14-18-12-24(27-21(31)20(18)28-30)6-8-29(9-7-24)22(32)15-4-5-16-13-26-19(25)11-17(16)10-15/h4-5,10-11,13-14H,6-9,12H2,1-3H3,(H2,25,26)(H,27,31)
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n/an/a 123n/an/an/an/a7.5n/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC1. Two liters of SF9 cells, infected with recombinant baculovirus containing full length human ACC1 cDNA, were suspended in ice-c...


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))
BDBM152883
PNG
(US8993586, 63)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ncccc4c3)NC(=O)c2n1
Show InChI InChI=1S/C24H27N5O2/c1-23(2,3)29-15-18-14-24(26-21(30)20(18)27-29)8-11-28(12-9-24)22(31)17-6-7-19-16(13-17)5-4-10-25-19/h4-7,10,13,15H,8-9,11-12,14H2,1-3H3,(H,26,30)
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n/an/a 160n/an/an/an/a7.5n/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC1. Two liters of SF9 cells, infected with recombinant baculovirus containing full length human ACC1 cDNA, were suspended in ice-c...


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))
BDBM152887
PNG
(US8993586, 68)
Show SMILES COc1cccc2cc(cnc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H29N5O3/c1-24(2,3)30-15-18-13-25(27-22(31)21(18)28-30)8-10-29(11-9-25)23(32)17-12-16-6-5-7-19(33-4)20(16)26-14-17/h5-7,12,14-15H,8-11,13H2,1-4H3,(H,27,31)
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n/an/a 221n/an/an/an/a7.5n/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC1. Two liters of SF9 cells, infected with recombinant baculovirus containing full length human ACC1 cDNA, were suspended in ice-c...


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))
BDBM152892
PNG
(US8993586, 74)
Show SMILES COc1cccc2ncc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H29N5O3/c1-24(2,3)30-15-17-13-25(27-22(31)21(17)28-30)8-10-29(11-9-25)23(32)16-12-18-19(26-14-16)6-5-7-20(18)33-4/h5-7,12,14-15H,8-11,13H2,1-4H3,(H,27,31)
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n/an/a 18n/an/an/an/a7.5n/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC1. Two liters of SF9 cells, infected with recombinant baculovirus containing full length human ACC1 cDNA, were suspended in ice-c...


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))
BDBM152902
PNG
(US8993586, 90)
Show SMILES COc1cc2ccc(cc2cn1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H29N5O3/c1-24(2,3)30-15-19-13-25(27-22(31)21(19)28-30)7-9-29(10-8-25)23(32)17-6-5-16-12-20(33-4)26-14-18(16)11-17/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,27,31)
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n/an/a 209n/an/an/an/a7.5n/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC1. Two liters of SF9 cells, infected with recombinant baculovirus containing full length human ACC1 cDNA, were suspended in ice-c...


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))
BDBM152904
PNG
(US8993586, 92)
Show SMILES COc1nccc2cc(ccc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H29N5O3/c1-24(2,3)30-15-18-14-25(27-21(31)20(18)28-30)8-11-29(12-9-25)23(32)17-5-6-19-16(13-17)7-10-26-22(19)33-4/h5-7,10,13,15H,8-9,11-12,14H2,1-4H3,(H,27,31)
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n/an/a 244n/an/an/an/a7.5n/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC1. Two liters of SF9 cells, infected with recombinant baculovirus containing full length human ACC1 cDNA, were suspended in ice-c...


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))
BDBM152822
PNG
(US8993586, 101)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4c(N)nccc4c3)NC(=O)c2n1
Show InChI InChI=1S/C24H28N6O2/c1-23(2,3)30-14-17-13-24(27-21(31)19(17)28-30)7-10-29(11-8-24)22(32)16-4-5-18-15(12-16)6-9-26-20(18)25/h4-6,9,12,14H,7-8,10-11,13H2,1-3H3,(H2,25,26)(H,27,31)
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n/an/a 160n/an/an/an/a7.5n/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC1. Two liters of SF9 cells, infected with recombinant baculovirus containing full length human ACC1 cDNA, were suspended in ice-c...


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))
BDBM50439629
PNG
(CHEMBL2419595 | US8993586, 102)
Show SMILES COc1cc2cc(ccc2cn1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H29N5O3/c1-24(2,3)30-15-19-13-25(27-22(31)21(19)28-30)7-9-29(10-8-25)23(32)16-5-6-17-14-26-20(33-4)12-18(17)11-16/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,27,31)
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n/an/a 78n/an/an/an/a7.5n/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC1. Two liters of SF9 cells, infected with recombinant baculovirus containing full length human ACC1 cDNA, were suspended in ice-c...


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))
BDBM152839
PNG
(US8993586, 17)
Show SMILES COc1cccc2c(OC)cc(cc12)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)N2
Show InChI InChI=1S/C26H30N4O4/c1-16(2)30-23-18(15-27-30)14-26(28-24(23)31)8-10-29(11-9-26)25(32)17-12-20-19(22(13-17)34-4)6-5-7-21(20)33-3/h5-7,12-13,15-16H,8-11,14H2,1-4H3,(H,28,31)
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n/an/a 31n/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))
BDBM152868
PNG
(US8993586, 46)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C26H30N4O3/c1-25(2,3)30-16-20-15-26(27-23(31)22(20)28-30)9-11-29(12-10-26)24(32)19-6-5-18-14-21(33-4)8-7-17(18)13-19/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,27,31)
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n/an/a 5.30n/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))
BDBM152870
PNG
(US8993586, 48)
Show SMILES COc1ccc2ncc(cc2c1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H29N5O3/c1-24(2,3)30-15-18-13-25(27-22(31)21(18)28-30)7-9-29(10-8-25)23(32)17-11-16-12-19(33-4)5-6-20(16)26-14-17/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,27,31)
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n/an/a 9.20n/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))
BDBM152871
PNG
(US8993586, 49)
Show SMILES COc1ccc2ccc(cc2c1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C26H30N4O3/c1-25(2,3)30-16-20-15-26(27-23(31)22(20)28-30)9-11-29(12-10-26)24(32)18-6-5-17-7-8-21(33-4)14-19(17)13-18/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,27,31)
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n/an/a 3.80n/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 2 (ACC2)


(Homo sapiens (Human))
BDBM152872
PNG
(US8993586, 50)
Show SMILES COc1cccc2cc(ccc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C26H30N4O3/c1-25(2,3)30-16-19-15-26(27-23(31)22(19)28-30)10-12-29(13-11-26)24(32)18-8-9-20-17(14-18)6-5-7-21(20)33-4/h5-9,14,16H,10-13,15H2,1-4H3,(H,27,31)
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n/an/a 7.5n/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 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 2 (ACC2)


(Homo sapiens (Human))
BDBM152879
PNG
(US8993586, 59)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4cnc(N)cc4c3)NC(=O)c2n1
Show InChI InChI=1S/C24H28N6O2/c1-23(2,3)30-14-18-12-24(27-21(31)20(18)28-30)6-8-29(9-7-24)22(32)15-4-5-16-13-26-19(25)11-17(16)10-15/h4-5,10-11,13-14H,6-9,12H2,1-3H3,(H2,25,26)(H,27,31)
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n/an/a 14n/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))
BDBM152883
PNG
(US8993586, 63)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ncccc4c3)NC(=O)c2n1
Show InChI InChI=1S/C24H27N5O2/c1-23(2,3)29-15-18-14-24(26-21(30)20(18)27-29)8-11-28(12-9-24)22(31)17-6-7-19-16(13-17)5-4-10-25-19/h4-7,10,13,15H,8-9,11-12,14H2,1-3H3,(H,26,30)
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n/an/a 28n/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))
BDBM152887
PNG
(US8993586, 68)
Show SMILES COc1cccc2cc(cnc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H29N5O3/c1-24(2,3)30-15-18-13-25(27-22(31)21(18)28-30)8-10-29(11-9-25)23(32)17-12-16-6-5-7-19(33-4)20(16)26-14-17/h5-7,12,14-15H,8-11,13H2,1-4H3,(H,27,31)
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n/an/a 68n/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))
BDBM152892
PNG
(US8993586, 74)
Show SMILES COc1cccc2ncc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H29N5O3/c1-24(2,3)30-15-17-13-25(27-22(31)21(17)28-30)8-10-29(11-9-25)23(32)16-12-18-19(26-14-16)6-5-7-20(18)33-4/h5-7,12,14-15H,8-11,13H2,1-4H3,(H,27,31)
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n/an/a 3.20n/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))
BDBM152902
PNG
(US8993586, 90)
Show SMILES COc1cc2ccc(cc2cn1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H29N5O3/c1-24(2,3)30-15-19-13-25(27-22(31)21(19)28-30)7-9-29(10-8-25)23(32)17-6-5-16-12-20(33-4)26-14-18(16)11-17/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,27,31)
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n/an/a 31n/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))
BDBM152904
PNG
(US8993586, 92)
Show SMILES COc1nccc2cc(ccc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H29N5O3/c1-24(2,3)30-15-18-14-25(27-21(31)20(18)28-30)8-11-29(12-9-25)23(32)17-5-6-19-16(13-17)7-10-26-22(19)33-4/h5-7,10,13,15H,8-9,11-12,14H2,1-4H3,(H,27,31)
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n/an/a 55n/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))
BDBM152822
PNG
(US8993586, 101)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4c(N)nccc4c3)NC(=O)c2n1
Show InChI InChI=1S/C24H28N6O2/c1-23(2,3)30-14-17-13-24(27-21(31)19(17)28-30)7-10-29(11-8-24)22(32)16-4-5-18-15(12-16)6-9-26-20(18)25/h4-6,9,12,14H,7-8,10-11,13H2,1-3H3,(H2,25,26)(H,27,31)
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n/an/a 26n/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))
BDBM50439629
PNG
(CHEMBL2419595 | US8993586, 102)
Show SMILES COc1cc2cc(ccc2cn1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H29N5O3/c1-24(2,3)30-15-19-13-25(27-22(31)21(19)28-30)7-9-29(10-8-25)23(32)16-5-6-17-14-26-20(33-4)12-18(17)11-16/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,27,31)
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n/an/a 12n/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))
BDBM50439627
PNG
(CHEMBL2419603)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)NC(=O)c2n1
Show InChI InChI=1S/C22H26N6O2/c1-21(2,3)28-13-16-11-22(24-19(29)18(16)26-28)6-8-27(9-7-22)20(30)14-4-5-17-15(10-14)12-23-25-17/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,23,25)(H,24,29)
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n/an/a 76n/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 1 (ACC1)


(Homo sapiens (Human))
BDBM50439627
PNG
(CHEMBL2419603)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)NC(=O)c2n1
Show InChI InChI=1S/C22H26N6O2/c1-21(2,3)28-13-16-11-22(24-19(29)18(16)26-28)6-8-27(9-7-22)20(30)14-4-5-17-15(10-14)12-23-25-17/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,23,25)(H,24,29)
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n/an/a 118n/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))
BDBM50439629
PNG
(CHEMBL2419595 | US8993586, 102)
Show SMILES COc1cc2cc(ccc2cn1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H29N5O3/c1-24(2,3)30-15-19-13-25(27-22(31)21(19)28-30)7-9-29(10-8-25)23(32)16-5-6-17-14-26-20(33-4)12-18(17)11-16/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,27,31)
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n/an/a 74n/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))
BDBM152868
PNG
(US8993586, 46)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C26H30N4O3/c1-25(2,3)30-16-20-15-26(27-23(31)22(20)28-30)9-11-29(12-10-26)24(32)19-6-5-18-14-21(33-4)8-7-17(18)13-19/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,27,31)
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n/an/a 36n/an/an/an/a7.5n/a



Pfizer Inc

US Patent


Assay Description
Preparation of rhACC1. Two liters of SF9 cells, infected with recombinant baculovirus containing full length human ACC1 cDNA, were suspended in ice-c...


US Patent US8993586 (2015)


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