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Compile Data Set for Download or QSAR

Found 634 hits Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 1 (ACC1)'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetyl-CoA carboxylase 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...


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


(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 2.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant ACC1


Citation and Details
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=1/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-/s2
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n/an/a 2.60n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant His-tagged ACC1 assessed as malonyl-CoA level


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


(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 3.40n/an/an/an/an/an/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)

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


(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 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant ACC1


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


(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 5n/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...


Citation and Details
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 5.60n/an/an/an/an/an/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)

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


(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 5.60n/an/an/an/an/an/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)

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


(Homo sapiens (Human))
BDBM152889
PNG
(US8993586, 70)
Show SMILES COc1cccc2ccc(cc12)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)18-9-8-17-6-5-7-21(33-4)20(17)14-18/h5-9,14,16H,10-13,15H2,1-4H3,(H,27,31)
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n/an/a 5.80n/an/an/an/an/an/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)

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


(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 6n/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...


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


(Homo sapiens (Human))
BDBM152911
PNG
(US8993586, 107)
Show SMILES CC(C)Nc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C27H34N6O2/c1-17(2)28-22-9-8-18-6-7-19(14-21(18)29-22)25(35)32-12-10-27(11-13-32)15-20-16-33(26(3,4)5)31-23(20)24(34)30-27/h6-9,14,16-17H,10-13,15H2,1-5H3,(H,28,29)(H,30,34)
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n/an/a 6.10n/an/an/an/an/an/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)

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


(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 6.5n/an/an/an/an/an/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)

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


(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=1/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 6.60n/an/an/an/an/an/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)

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


(Homo sapiens (Human))
BDBM50439644
PNG
(CHEMBL2419593 | US8993586, 86)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4c(Cl)c[nH]c4c3)NC(=O)c2n1
Show InChI InChI=1S/C23H26ClN5O2/c1-22(2,3)29-13-15-11-23(26-20(30)19(15)27-29)6-8-28(9-7-23)21(31)14-4-5-16-17(24)12-25-18(16)10-14/h4-5,10,12-13,25H,6-9,11H2,1-3H3,(H,26,30)
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n/an/a 7n/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...


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


(Rattus norvegicus (Rat))
BDBM50365279
PNG
(CHEMBL1958360)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C(C)(C)C
Show InChI InChI=1S/C23H27N5O3/c1-14-9-15(10-16-12-24-25-19(14)16)21(30)27-7-5-23(6-8-27)11-17(29)20-18(31-23)13-28(26-20)22(2,3)4/h9-10,12-13H,5-8,11H2,1-4H3,(H,24,25)
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...


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


(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 7.40n/an/an/an/an/an/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)

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


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



Pfizer Global Research and Development

Curated by ChEMBL


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


Citation and Details
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/an/an/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)

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


(Homo sapiens (Human))
BDBM152910
PNG
(US8993586, 106)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ccc(NC5CC5)nc4c3)NC(=O)c2n1
Show InChI InChI=1S/C27H32N6O2/c1-26(2,3)33-16-19-15-27(30-24(34)23(19)31-33)10-12-32(13-11-27)25(35)18-5-4-17-6-9-22(28-20-7-8-20)29-21(17)14-18/h4-6,9,14,16,20H,7-8,10-13,15H2,1-3H3,(H,28,29)(H,30,34)
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n/an/a 7.5n/an/an/an/an/an/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)

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


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



Pfizer Global Research and Development

Curated by ChEMBL


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


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


(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 8.40n/an/an/an/an/an/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)

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/an/an/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)

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


(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 8.90n/an/an/an/an/an/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)

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


(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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n/an/a 9n/an/an/an/an/an/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)

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


(Rattus norvegicus (Rat))
BDBM50365287
PNG
(CHEMBL1958368)
Show SMILES CCn1nc2c(OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]cc(C)c4c3)CC2=O)c1C
Show InChI InChI=1S/C24H28N4O3/c1-5-28-16(4)22-21(26-28)19(29)12-24(31-22)6-8-27(9-7-24)23(30)17-10-14(2)20-18(11-17)15(3)13-25-20/h10-11,13,25H,5-9,12H2,1-4H3
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n/an/a 9.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...


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


(Rattus norvegicus (Rat))
BDBM50365292
PNG
(CHEMBL1958373)
Show SMILES Cc1cc(cc2[nH]cnc12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C(C)(C)C
Show InChI InChI=1S/C23H27N5O3/c1-14-9-15(10-16-19(14)25-13-24-16)21(30)27-7-5-23(6-8-27)11-17(29)20-18(31-23)12-28(26-20)22(2,3)4/h9-10,12-13H,5-8,11H2,1-4H3,(H,24,25)
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n/an/a 9.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...


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


(Homo sapiens (Human))
BDBM50439634
PNG
(CHEMBL2419596 | US8993586, 71)
Show SMILES COc1ccc2ccc(cc2n1)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(27-22(31)21(18)28-30)9-11-29(12-10-25)23(32)17-6-5-16-7-8-20(33-4)26-19(16)13-17/h5-8,13,15H,9-12,14H2,1-4H3,(H,27,31)
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n/an/a 10n/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...


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


(Rattus norvegicus (Rat))
BDBM50365293
PNG
(CHEMBL1958374)
Show SMILES Cc1nc2c(C)cc(cc2[nH]1)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C(C)(C)C
Show InChI InChI=1S/C24H29N5O3/c1-14-10-16(11-17-20(14)26-15(2)25-17)22(31)28-8-6-24(7-9-28)12-18(30)21-19(32-24)13-29(27-21)23(3,4)5/h10-11,13H,6-9,12H2,1-5H3,(H,25,26)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...


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


(Homo sapiens (Human))
BDBM50426524
PNG
(CHEMBL2323629)
Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]c(cc4c3)C(N)=O)CC(=O)c12
Show InChI InChI=1S/C24H27N5O3/c1-14(2)29-21-17(13-26-29)11-24(12-20(21)30)5-7-28(8-6-24)23(32)15-3-4-18-16(9-15)10-19(27-18)22(25)31/h3-4,9-10,13-14,27H,5-8,11-12H2,1-2H3,(H2,25,31)
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant ACC1


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


(Homo sapiens (Human))
BDBM50439641
PNG
(CHEMBL2419597 | US8993586, 55)
Show SMILES COc1nccc2ccc(cc12)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)17-6-5-16-7-10-26-22(33-4)19(16)13-17/h5-7,10,13,15H,8-9,11-12,14H2,1-4H3,(H,27,31)
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n/an/a 11n/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...


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


(Homo sapiens (Human))
BDBM50439635
PNG
(CHEMBL2419594 | US8993586, 88)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3cnc4c(Cl)c[nH]c4c3)NC(=O)c2n1
Show InChI InChI=1S/C22H25ClN6O2/c1-21(2,3)29-12-14-9-22(26-19(30)17(14)27-29)4-6-28(7-5-22)20(31)13-8-16-18(25-10-13)15(23)11-24-16/h8,10-12,24H,4-7,9H2,1-3H3,(H,26,30)
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n/an/a 11n/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...


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


(Rattus norvegicus (Rat))
BDBM50365284
PNG
(CHEMBL1958365)
Show SMILES CCOc1cc(cc2c(C)n[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(CC)c(C)c1O2
Show InChI InChI=1S/C24H29N5O4/c1-5-29-15(4)22-21(27-29)18(30)13-24(33-22)7-9-28(10-8-24)23(31)16-11-17-14(3)25-26-20(17)19(12-16)32-6-2/h11-12H,5-10,13H2,1-4H3,(H,25,26)
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n/an/a 11.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...


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


(Rattus norvegicus (Rat))
BDBM50365281
PNG
(CHEMBL1958362)
Show SMILES CCn1nc2c(OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]nc(C)c4c3)CC2=O)c1C
Show InChI InChI=1S/C23H27N5O3/c1-5-28-15(4)21-20(26-28)18(29)12-23(31-21)6-8-27(9-7-23)22(30)16-10-13(2)19-17(11-16)14(3)24-25-19/h10-11H,5-9,12H2,1-4H3,(H,24,25)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...


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


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



Pfizer Global Research and Development

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM50426522
PNG
(CHEMBL2323627)
Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4ccc(N)nc4c3)CC(=O)c12
Show InChI InChI=1S/C24H27N5O2/c1-15(2)29-22-18(14-26-29)12-24(13-20(22)30)7-9-28(10-8-24)23(31)17-4-3-16-5-6-21(25)27-19(16)11-17/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H2,25,27)
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant ACC1


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


(Rattus norvegicus (Rat))
BDBM50365290
PNG
(CHEMBL1958371)
Show SMILES CC(C)n1cc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]nc(C)c4c3)CC(=O)c2n1
Show InChI InChI=1S/C23H27N5O3/c1-13(2)28-12-19-21(26-28)18(29)11-23(31-19)5-7-27(8-6-23)22(30)16-9-14(3)20-17(10-16)15(4)24-25-20/h9-10,12-13H,5-8,11H2,1-4H3,(H,24,25)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...


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


(Rattus norvegicus (Rat))
BDBM50365285
PNG
(CHEMBL1958366)
Show SMILES CCOc1cc(cc2c(CC)n[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(CC)c(C)c1O2
Show InChI InChI=1S/C25H31N5O4/c1-5-18-17-12-16(13-20(33-7-3)21(17)27-26-18)24(32)29-10-8-25(9-11-29)14-19(31)22-23(34-25)15(4)30(6-2)28-22/h12-13H,5-11,14H2,1-4H3,(H,26,27)
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...


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


(Rattus norvegicus (Rat))
BDBM50365294
PNG
(CHEMBL1955895)
Show SMILES Cn1ncc2ccc(cc12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C(C)(C)C
Show InChI InChI=1S/C23H27N5O3/c1-22(2,3)28-14-19-20(25-28)18(29)12-23(31-19)7-9-27(10-8-23)21(30)15-5-6-16-13-24-26(4)17(16)11-15/h5-6,11,13-14H,7-10,12H2,1-4H3
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...


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


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

Curated by ChEMBL


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


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


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



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM50439636
PNG
(CHEMBL2419592 | US8993586, 85)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4[nH]cc(Cl)c4c3)NC(=O)c2n1
Show InChI InChI=1S/C23H26ClN5O2/c1-22(2,3)29-13-15-11-23(26-20(30)19(15)27-29)6-8-28(9-7-23)21(31)14-4-5-18-16(10-14)17(24)12-25-18/h4-5,10,12-13,25H,6-9,11H2,1-3H3,(H,26,30)
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n/an/a 13n/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...


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


(Rattus norvegicus (Rat))
BDBM50365277
PNG
(CHEMBL1958359)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C1CCCC1
Show InChI InChI=1S/C24H27N5O3/c1-15-10-16(11-17-13-25-26-21(15)17)23(31)28-8-6-24(7-9-28)12-19(30)22-20(32-24)14-29(27-22)18-4-2-3-5-18/h10-11,13-14,18H,2-9,12H2,1H3,(H,25,26)
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...


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


(Homo sapiens (Human))
BDBM50439641
PNG
(CHEMBL2419597 | US8993586, 55)
Show SMILES COc1nccc2ccc(cc12)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)17-6-5-16-7-10-26-22(33-4)19(16)13-17/h5-7,10,13,15H,8-9,11-12,14H2,1-4H3,(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 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)

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


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



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM152873
PNG
(US8993586, 51)
Show SMILES COc1cccc2c(OC)cc(nc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C26H31N5O4/c1-25(2,3)31-15-16-14-26(28-23(32)21(16)29-31)9-11-30(12-10-26)24(33)18-13-20(35-5)17-7-6-8-19(34-4)22(17)27-18/h6-8,13,15H,9-12,14H2,1-5H3,(H,28,32)
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n/an/a 15n/an/an/an/an/an/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)

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


(Homo sapiens (Human))
BDBM152912
PNG
(US8993586, 108)
Show SMILES CCN(C)c1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C27H34N6O2/c1-6-31(5)22-10-9-18-7-8-19(15-21(18)28-22)25(35)32-13-11-27(12-14-32)16-20-17-33(26(2,3)4)30-23(20)24(34)29-27/h7-10,15,17H,6,11-14,16H2,1-5H3,(H,29,34)
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n/an/a 15n/an/an/an/an/an/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)

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


(Rattus norvegicus (Rat))
BDBM50365276
PNG
(CHEMBL1958358)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C1CCC1
Show InChI InChI=1S/C23H25N5O3/c1-14-9-15(10-16-12-24-25-20(14)16)22(30)27-7-5-23(6-8-27)11-18(29)21-19(31-23)13-28(26-21)17-3-2-4-17/h9-10,12-13,17H,2-8,11H2,1H3,(H,24,25)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...


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


(Rattus norvegicus (Rat))
BDBM50127711
PNG
(CHEMBL3629719)
Show SMILES C[C@@H]1N(CCC11CCN(CC1)C(=O)c1cc(C)c2[nH]ncc2c1)C(=O)OCC(C)(C)C
Show InChI InChI=1/C24H34N4O3/c1-16-12-18(13-19-14-25-26-20(16)19)21(29)27-9-6-24(7-10-27)8-11-28(17(24)2)22(30)31-15-23(3,4)5/h12-14,17H,6-11,15H2,1-5H3,(H,25,26)/t17-/s2
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n/an/a 16n/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil...


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


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



Pfizer Global Research and Development

Curated by ChEMBL


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


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


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

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
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