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Compile Data Set for Download or QSAR

Found 395 hits with Last Name = 'sakamoto' and Initial = 'j'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
BCoR-BCL6


(Homo sapiens)
BDBM50260529
PNG
(CHEMBL4077626)
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n/an/a 1n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




Bioorg Med Chem 25: 4876-4886 (2017)


Article DOI: 10.1016/j.bmc.2017.07.037
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50355934
PNG
(CHEMBL1910404)
Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CC(C)(C)OC2=O)C1 |r|
Show InChI InChI=1S/C27H36N4O4S/c1-4-28-25(34)29-22-21(19-8-5-6-9-20(19)36-22)23(32)30-14-10-18(11-15-30)31-13-7-12-27(17-31)16-26(2,3)35-24(27)33/h5-6,8-9,18H,4,7,10-17H2,1-3H3,(H2,28,29,34)/t27-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC2


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50361337
PNG
(CHEMBL1933845)
Show SMILES CCCCCS(=O)(=O)NC(=O)\C=C\c1cc(nn1Cc1ccc(cc1Cl)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H25ClF3N3O3S/c1-2-3-4-11-33(31,32)28-21(30)10-9-18-13-20(15-5-6-15)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-10,12-13,15H,2-6,11,14H2,1H3,(H,28,30)/b10-9+
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-AD-5061 from human GST-tagged PPARgamma


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50355930
PNG
(CHEMBL1910400)
Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1
Show InChI InChI=1S/C27H36N4O4S/c1-4-28-25(34)29-22-21(19-8-5-6-9-20(19)36-22)23(32)30-14-10-18(11-15-30)31-13-7-12-27(17-31)16-26(2,3)35-24(27)33/h5-6,8-9,18H,4,7,10-17H2,1-3H3,(H2,28,29,34)
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n/an/a 13n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC2


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50361338
PNG
(CHEMBL1933842)
Show SMILES CC(C)CCS(=O)(=O)NC(=O)\C=C\c1cc(OC(C)C)nn1Cc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C22H27ClF3N3O4S/c1-14(2)9-10-34(31,32)28-20(30)8-7-18-12-21(33-15(3)4)27-29(18)13-16-5-6-17(11-19(16)23)22(24,25)26/h5-8,11-12,14-15H,9-10,13H2,1-4H3,(H,28,30)/b8-7+
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n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-AD-5061 from human GST-tagged PPARgamma


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50355928
PNG
(CHEMBL1910398)
Show SMILES CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(N)=O)sc3ccccc23)C(=O)O1
Show InChI InChI=1S/C25H32N4O4S/c1-24(2)14-25(22(31)33-24)10-5-11-29(15-25)16-8-12-28(13-9-16)21(30)19-17-6-3-4-7-18(17)34-20(19)27-23(26)32/h3-4,6-7,16H,5,8-15H2,1-2H3,(H3,26,27,32)
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n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC2


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50355929
PNG
(CHEMBL1910399)
Show SMILES CNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1
Show InChI InChI=1S/C26H34N4O4S/c1-25(2)15-26(23(32)34-25)11-6-12-30(16-26)17-9-13-29(14-10-17)22(31)20-18-7-4-5-8-19(18)35-21(20)28-24(33)27-3/h4-5,7-8,17H,6,9-16H2,1-3H3,(H2,27,28,33)
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n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC2


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50361340
PNG
(CHEMBL1933822)
Show SMILES CCCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C22H29ClF3N3O4S/c1-4-5-6-11-34(31,32)28-20(30)10-9-18-13-21(33-15(2)3)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-8,12-13,15H,4-6,9-11,14H2,1-3H3,(H,28,30)
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n/an/a 21n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-AD-5061 from human GST-tagged PPARgamma


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50361339
PNG
(CHEMBL1933841)
Show SMILES CCCCCS(=O)(=O)NC(=O)\C=C\c1cc(OC(C)C)nn1Cc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C22H27ClF3N3O4S/c1-4-5-6-11-34(31,32)28-20(30)10-9-18-13-21(33-15(2)3)27-29(18)14-16-7-8-17(12-19(16)23)22(24,25)26/h7-10,12-13,15H,4-6,11,14H2,1-3H3,(H,28,30)/b10-9+
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n/an/a 23n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-AD-5061 from human GST-tagged PPARgamma


Bioorg Med Chem 20: 714-33 (2012)


Article DOI: 10.1016/j.bmc.2011.12.008
BindingDB Entry DOI: 10.7270/Q2PK0GK3
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50355934
PNG
(CHEMBL1910404)
Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CC(C)(C)OC2=O)C1 |r|
Show InChI InChI=1S/C27H36N4O4S/c1-4-28-25(34)29-22-21(19-8-5-6-9-20(19)36-22)23(32)30-14-10-18(11-15-30)31-13-7-12-27(17-31)16-26(2,3)35-24(27)33/h5-6,8-9,18H,4,7,10-17H2,1-3H3,(H2,28,29,34)/t27-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC1


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50189617
PNG
((3R)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbo...)
Show SMILES O=C([C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12)N1CCOCC1 |r|
Show InChI InChI=1S/C30H35N3O3/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2/t24-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC2


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50355923
PNG
(CHEMBL1910393)
Show SMILES CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c3ccccc3cc3ccccc23)C(=O)O1
Show InChI InChI=1S/C30H34N2O3/c1-29(2)19-30(28(34)35-29)14-7-15-32(20-30)23-12-16-31(17-13-23)27(33)26-24-10-5-3-8-21(24)18-22-9-4-6-11-25(22)26/h3-6,8-11,18,23H,7,12-17,19-20H2,1-2H3
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n/an/a 43n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC2


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50355931
PNG
(CHEMBL1910401)
Show SMILES CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(=O)NC3CCCCC3)sc3ccccc23)C(=O)O1
Show InChI InChI=1S/C31H42N4O4S/c1-30(2)19-31(28(37)39-30)15-8-16-35(20-31)22-13-17-34(18-14-22)27(36)25-23-11-6-7-12-24(23)40-26(25)33-29(38)32-21-9-4-3-5-10-21/h6-7,11-12,21-22H,3-5,8-10,13-20H2,1-2H3,(H2,32,33,38)
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n/an/a 45n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC2


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50355930
PNG
(CHEMBL1910400)
Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1
Show InChI InChI=1S/C27H36N4O4S/c1-4-28-25(34)29-22-21(19-8-5-6-9-20(19)36-22)23(32)30-14-10-18(11-15-30)31-13-7-12-27(17-31)16-26(2,3)35-24(27)33/h5-6,8-9,18H,4,7,10-17H2,1-3H3,(H2,28,29,34)
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n/an/a 63n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC1


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50355928
PNG
(CHEMBL1910398)
Show SMILES CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(N)=O)sc3ccccc23)C(=O)O1
Show InChI InChI=1S/C25H32N4O4S/c1-24(2)14-25(22(31)33-24)10-5-11-29(15-25)16-8-12-28(13-9-16)21(30)19-17-6-3-4-7-18(17)34-20(19)27-23(26)32/h3-4,6-7,16H,5,8-15H2,1-2H3,(H3,26,27,32)
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n/an/a 84n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC1


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50355929
PNG
(CHEMBL1910399)
Show SMILES CNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1
Show InChI InChI=1S/C26H34N4O4S/c1-25(2)15-26(23(32)34-25)11-6-12-30(16-26)17-9-13-29(14-10-17)22(31)20-18-7-4-5-8-19(18)35-21(20)28-24(33)27-3/h4-5,7-8,17H,6,9-16H2,1-3H3,(H2,27,28,33)
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n/an/a 95n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC1


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50355927
PNG
(CHEMBL1910397)
Show SMILES CC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1
Show InChI InChI=1S/C26H33N3O4S/c1-17(30)27-22-21(19-7-4-5-8-20(19)34-22)23(31)28-13-9-18(10-14-28)29-12-6-11-26(16-29)15-25(2,3)33-24(26)32/h4-5,7-8,18H,6,9-16H2,1-3H3,(H,27,30)
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n/an/a 100n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC2


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50260504
PNG
(CHEMBL4075278)
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n/an/a 100n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




Bioorg Med Chem 25: 4876-4886 (2017)


Article DOI: 10.1016/j.bmc.2017.07.037
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50355917
PNG
(CHEMBL1910387)
Show SMILES CCN(CC)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C30H37N3O2/c1-3-31(4-2)29(34)24-12-9-17-33(21-24)25-15-18-32(19-16-25)30(35)28-26-13-7-5-10-22(26)20-23-11-6-8-14-27(23)28/h5-8,10-11,13-14,20,24-25H,3-4,9,12,15-19,21H2,1-2H3
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n/an/a 110n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC2


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50355922
PNG
(CHEMBL1910392)
Show SMILES CC1CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c3ccccc3cc3ccccc23)C(=O)O1
Show InChI InChI=1S/C29H32N2O3/c1-20-18-29(28(33)34-20)13-6-14-31(19-29)23-11-15-30(16-12-23)27(32)26-24-9-4-2-7-21(24)17-22-8-3-5-10-25(22)26/h2-5,7-10,17,20,23H,6,11-16,18-19H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC2


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50260536
PNG
(CHEMBL4076619)
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n/an/a 130n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




Bioorg Med Chem 25: 4876-4886 (2017)


Article DOI: 10.1016/j.bmc.2017.07.037
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50260510
PNG
(CHEMBL4085850)
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n/an/a 130n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




Bioorg Med Chem 25: 4876-4886 (2017)


Article DOI: 10.1016/j.bmc.2017.07.037
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BCoR-BCL6


(Homo sapiens)
BDBM50260479
PNG
(CHEMBL4076344)
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n/an/a 130n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




Bioorg Med Chem 25: 4876-4886 (2017)


Article DOI: 10.1016/j.bmc.2017.07.037
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50355920
PNG
(CHEMBL1910390)
Show SMILES CCN1CCC2(CCCN(C2)C2CCN(CC2)C(=O)c2c3ccccc3cc3ccccc23)C1=O
Show InChI InChI=1S/C30H35N3O2/c1-2-31-19-15-30(29(31)35)14-7-16-33(21-30)24-12-17-32(18-13-24)28(34)27-25-10-5-3-8-22(25)20-23-9-4-6-11-26(23)27/h3-6,8-11,20,24H,2,7,12-19,21H2,1H3
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n/an/a 140n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC2


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50260506
PNG
(CHEMBL4103775)
PDB

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n/an/a 150n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




Bioorg Med Chem 25: 4876-4886 (2017)


Article DOI: 10.1016/j.bmc.2017.07.037
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50355931
PNG
(CHEMBL1910401)
Show SMILES CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(=O)NC3CCCCC3)sc3ccccc23)C(=O)O1
Show InChI InChI=1S/C31H42N4O4S/c1-30(2)19-31(28(37)39-30)15-8-16-35(20-31)22-13-17-34(18-14-22)27(36)25-23-11-6-7-12-24(23)40-26(25)33-29(38)32-21-9-4-3-5-10-21/h6-7,11-12,21-22H,3-5,8-10,13-20H2,1-2H3,(H2,32,33,38)
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n/an/a 220n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC1


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50355918
PNG
(CHEMBL1910388)
Show SMILES CCN(CC)C(=O)c1cccc(c1)N1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C30H31N3O2/c1-3-31(4-2)29(34)24-12-9-13-25(21-24)32-16-18-33(19-17-32)30(35)28-26-14-7-5-10-22(26)20-23-11-6-8-15-27(23)28/h5-15,20-21H,3-4,16-19H2,1-2H3
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Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC2


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50260505
PNG
(CHEMBL4069588)
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n/an/a 220n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




Bioorg Med Chem 25: 4876-4886 (2017)


Article DOI: 10.1016/j.bmc.2017.07.037
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50260498
PNG
(CHEMBL4093597)
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n/an/a 240n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




Bioorg Med Chem 25: 4876-4886 (2017)


Article DOI: 10.1016/j.bmc.2017.07.037
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50355921
PNG
(CHEMBL1910391)
Show SMILES CCN1CCCC2(CCCN(C2)C2CCN(CC2)C(=O)c2c3ccccc3cc3ccccc23)C1=O
Show InChI InChI=1S/C31H37N3O2/c1-2-32-17-7-15-31(30(32)36)16-8-18-34(22-31)25-13-19-33(20-14-25)29(35)28-26-11-5-3-9-23(26)21-24-10-4-6-12-27(24)28/h3-6,9-12,21,25H,2,7-8,13-20,22H2,1H3
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Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC2


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50355923
PNG
(CHEMBL1910393)
Show SMILES CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c3ccccc3cc3ccccc23)C(=O)O1
Show InChI InChI=1S/C30H34N2O3/c1-29(2)19-30(28(34)35-29)14-7-15-32(20-30)23-12-16-31(17-13-23)27(33)26-24-10-5-3-8-21(24)18-22-9-4-6-11-25(22)26/h3-6,8-11,18,23H,7,12-17,19-20H2,1-2H3
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Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC1


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50382055
PNG
(CHEMBL2024606)
Show SMILES CCCCCS(=O)(=O)NC(=O)\C=C\c1ccc(OCCOC)cc1Oc1ncc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C23H26ClF3N2O6S/c1-3-4-5-12-36(31,32)29-21(30)9-7-16-6-8-18(34-11-10-33-2)14-20(16)35-22-19(24)13-17(15-28-22)23(25,26)27/h6-9,13-15H,3-5,10-12H2,1-2H3,(H,29,30)/b9-7+
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n/an/a 330n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-AD-5061 from human GST-tagged PPARgamma


Bioorg Med Chem 20: 3332-58 (2012)


Article DOI: 10.1016/j.bmc.2012.03.036
BindingDB Entry DOI: 10.7270/Q2NK3G26
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50355925
PNG
(CHEMBL1910395)
Show SMILES Cc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1
Show InChI InChI=1S/C25H32N2O3S/c1-17-21(19-7-4-5-8-20(19)31-17)22(28)26-13-9-18(10-14-26)27-12-6-11-25(16-27)15-24(2,3)30-23(25)29/h4-5,7-8,18H,6,9-16H2,1-3H3
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n/an/a 360n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC2


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50260539
PNG
(CHEMBL4066000)
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n/an/a 430n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




Bioorg Med Chem 25: 4876-4886 (2017)


Article DOI: 10.1016/j.bmc.2017.07.037
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
CHEMBL4077392
PNG
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n/an/a 480n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b00313
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50189617
PNG
((3R)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbo...)
Show SMILES O=C([C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12)N1CCOCC1 |r|
Show InChI InChI=1S/C30H35N3O3/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2/t24-/m1/s1
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Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC1


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50355917
PNG
(CHEMBL1910387)
Show SMILES CCN(CC)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C30H37N3O2/c1-3-31(4-2)29(34)24-12-9-17-33(21-24)25-15-18-32(19-16-25)30(35)28-26-13-7-5-10-22(26)20-23-11-6-8-14-27(23)28/h5-8,10-11,13-14,20,24-25H,3-4,9,12,15-19,21H2,1-2H3
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n/an/a 720n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC1


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50260504
PNG
(CHEMBL4075278)
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n/an/a 720n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




Bioorg Med Chem 25: 4876-4886 (2017)


Article DOI: 10.1016/j.bmc.2017.07.037
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50355926
PNG
(CHEMBL1910396)
Show SMILES CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(N)sc3ccccc23)C(=O)O1
Show InChI InChI=1S/C24H31N3O3S/c1-23(2)14-24(22(29)30-23)10-5-11-27(15-24)16-8-12-26(13-9-16)21(28)19-17-6-3-4-7-18(17)31-20(19)25/h3-4,6-7,16H,5,8-15,25H2,1-2H3
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n/an/a 750n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC2


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50355924
PNG
(CHEMBL1910394)
Show SMILES CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2csc3ccccc23)C(=O)O1
Show InChI InChI=1S/C24H30N2O3S/c1-23(2)15-24(22(28)29-23)10-5-11-26(16-24)17-8-12-25(13-9-17)21(27)19-14-30-20-7-4-3-6-18(19)20/h3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3
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n/an/a 880n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC2


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50355918
PNG
(CHEMBL1910388)
Show SMILES CCN(CC)C(=O)c1cccc(c1)N1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C30H31N3O2/c1-3-31(4-2)29(34)24-12-9-13-25(21-24)32-16-18-33(19-17-32)30(35)28-26-14-7-5-10-22(26)20-23-11-6-8-15-27(23)28/h5-15,20-21H,3-4,16-19H2,1-2H3
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Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC1


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50355932
PNG
(CHEMBL1910402)
Show SMILES CCCS(=O)(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1
Show InChI InChI=1S/C27H37N3O5S2/c1-4-16-37(33,34)28-23-22(20-8-5-6-9-21(20)36-23)24(31)29-14-10-19(11-15-29)30-13-7-12-27(18-30)17-26(2,3)35-25(27)32/h5-6,8-9,19,28H,4,7,10-18H2,1-3H3
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Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC2


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50355922
PNG
(CHEMBL1910392)
Show SMILES CC1CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c3ccccc3cc3ccccc23)C(=O)O1
Show InChI InChI=1S/C29H32N2O3/c1-20-18-29(28(33)34-20)13-6-14-31(19-29)23-11-15-30(16-12-23)27(32)26-24-9-4-2-7-21(24)17-22-8-3-5-10-25(22)26/h2-5,7-10,17,20,23H,6,11-16,18-19H2,1H3
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Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC1


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50260479
PNG
(CHEMBL4076344)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




Bioorg Med Chem 25: 4876-4886 (2017)


Article DOI: 10.1016/j.bmc.2017.07.037
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50355933
PNG
(CHEMBL1910403)
Show SMILES CCN(CC)C(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1
Show InChI InChI=1S/C29H40N4O4S/c1-5-31(6-2)27(36)30-24-23(21-10-7-8-11-22(21)38-24)25(34)32-16-12-20(13-17-32)33-15-9-14-29(19-33)18-28(3,4)37-26(29)35/h7-8,10-11,20H,5-6,9,12-19H2,1-4H3,(H,30,36)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC2


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50355935
PNG
(CHEMBL1910405)
Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCC[C@@]2(CC(C)(C)OC2=O)C1 |r|
Show InChI InChI=1S/C27H36N4O4S/c1-4-28-25(34)29-22-21(19-8-5-6-9-20(19)36-22)23(32)30-14-10-18(11-15-30)31-13-7-12-27(17-31)16-26(2,3)35-24(27)33/h5-6,8-9,18H,4,7,10-17H2,1-3H3,(H2,28,29,34)/t27-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC2


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50355920
PNG
(CHEMBL1910390)
Show SMILES CCN1CCC2(CCCN(C2)C2CCN(CC2)C(=O)c2c3ccccc3cc3ccccc23)C1=O
Show InChI InChI=1S/C30H35N3O2/c1-2-31-19-15-30(29(31)35)14-7-16-33(21-30)24-12-17-32(18-13-24)28(34)27-25-10-5-3-8-22(25)20-23-9-4-6-11-26(23)27/h3-6,8-11,20,24H,2,7,12-19,21H2,1H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC1


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50355927
PNG
(CHEMBL1910397)
Show SMILES CC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1
Show InChI InChI=1S/C26H33N3O4S/c1-17(30)27-22-21(19-7-4-5-8-20(19)34-22)23(31)28-13-9-18(10-14-28)29-12-6-11-26(16-29)15-25(2,3)33-24(26)32/h4-5,7-8,18H,6,9-16H2,1-3H3,(H,27,30)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC1


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50355921
PNG
(CHEMBL1910391)
Show SMILES CCN1CCCC2(CCCN(C2)C2CCN(CC2)C(=O)c2c3ccccc3cc3ccccc23)C1=O
Show InChI InChI=1S/C31H37N3O2/c1-2-32-17-7-15-31(30(32)36)16-8-18-34(22-31)25-13-19-33(20-14-25)29(35)28-26-11-5-3-9-23(26)21-24-10-4-6-12-27(24)28/h3-6,9-12,21,25H,2,7-8,13-20,22H2,1H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC1


Bioorg Med Chem Lett 21: 6314-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.117
BindingDB Entry DOI: 10.7270/Q2P84C9P
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50260525
PNG
(CHEMBL4092657)
PDB

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n/an/a 4.30E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




Bioorg Med Chem 25: 4876-4886 (2017)


Article DOI: 10.1016/j.bmc.2017.07.037
More data for this
Ligand-Target Pair
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