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6 similar compounds to monomer 50247153

Compile data set for download or QSAR
Wt: 423.5
BDBM50247152
Wt: 423.4
BDBM50247130
Wt: 431.5
BDBM50247154
Wt: 422.4
BDBM50247155
Wt: 513.5
BDBM50247156
Wt: 569.4
BDBM50246570

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50247152,50247130,50247154,50247155,50247156,50246570   
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
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50247156
PNG
(CHEMBL4101472)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2ccc(OCCC(C)(C)O)cc2)cc1
Show InChI InChI=1S/C30H31N3O5/c1-4-5-24(18-28(34)35)22-7-11-26(12-8-22)38-20-21-6-15-27-31-29(32-33(27)19-21)23-9-13-25(14-10-23)37-17-16-30(2,3)36/h6-15,19,24,36H,16-18,20H2,1-3H3,(H,34,35)/t24-/m0/s1
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37n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]-TAK-875 from full length human recombinant GPR40 expressed in HEK293 cell membranes after 2 hrs by scintillation cou...


J Med Chem 61: 934-945 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01411
BindingDB Entry DOI: 10.7270/Q2CZ39K5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50246570
PNG
(CHEMBL4081509)
Show SMILES [I-].CCCCN(CC(=O)NCc1ccccc1)C(=O)CCCCCn1cc[n+](C)c1\C=N/O
Show InChI InChI=1S/C24H35N5O3/c1-3-4-14-29(20-22(30)25-18-21-11-7-5-8-12-21)24(31)13-9-6-10-15-28-17-16-27(2)23(28)19-26-32/h5,7-8,11-12,16-17,19H,3-4,6,9-10,13-15,18,20H2,1-2H3,(H,25,30)/p+1
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n/an/an/a 8.00E+4n/an/an/an/an/a



TNO

Curated by ChEMBL


Assay Description
Reactivation of tabun inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...


J Med Chem 60: 9376-9392 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01083
BindingDB Entry DOI: 10.7270/Q27W6FMG
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase


(Homo sapiens (Human))
BDBM50247154
PNG
(CHEMBL4062997)
Show SMILES CC(NC(C)=O)c1cccc(OCc2ccc(Oc3cccc(OCC4CC4)c3)cc2)c1
Show InChI InChI=1S/C27H29NO4/c1-19(28-20(2)29)23-5-3-6-25(15-23)30-18-22-11-13-24(14-12-22)32-27-8-4-7-26(16-27)31-17-21-9-10-21/h3-8,11-16,19,21H,9-10,17-18H2,1-2H3,(H,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ACC2 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


(Homo sapiens (Human))
BDBM50247155
PNG
(CHEMBL4064059)
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-/m1/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ACC2 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


(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>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ACC2 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))
BDBM50247155
PNG
(CHEMBL4064059)
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-/m1/s1
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n/an/a 710n/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))
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 6.40n/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))
BDBM50247155
PNG
(CHEMBL4064059)
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-/m1/s1
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n/an/a 240n/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))
BDBM50247154
PNG
(CHEMBL4062997)
Show SMILES CC(NC(C)=O)c1cccc(OCc2ccc(Oc3cccc(OCC4CC4)c3)cc2)c1
Show InChI InChI=1S/C27H29NO4/c1-19(28-20(2)29)23-5-3-6-25(15-23)30-18-22-11-13-24(14-12-22)32-27-8-4-7-26(16-27)31-17-21-9-10-21/h3-8,11-16,19,21H,9-10,17-18H2,1-2H3,(H,28,29)
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n/an/a>1.00E+3n/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))
BDBM50247152
PNG
(CHEMBL4064532)
Show SMILES CCCCOc1cccc(OC2CN(C2)c2nc3ccc(cc3o2)C(C)NC(C)=O)c1
Show InChI InChI=1S/C24H29N3O4/c1-4-5-11-29-19-7-6-8-20(13-19)30-21-14-27(15-21)24-26-22-10-9-18(12-23(22)31-24)16(2)25-17(3)28/h6-10,12-13,16,21H,4-5,11,14-15H2,1-3H3,(H,25,28)
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n/an/a 210n/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))
BDBM50247154
PNG
(CHEMBL4062997)
Show SMILES CC(NC(C)=O)c1cccc(OCc2ccc(Oc3cccc(OCC4CC4)c3)cc2)c1
Show InChI InChI=1S/C27H29NO4/c1-19(28-20(2)29)23-5-3-6-25(15-23)30-18-22-11-13-24(14-12-22)32-27-8-4-7-26(16-27)31-17-21-9-10-21/h3-8,11-16,19,21H,9-10,17-18H2,1-2H3,(H,28,29)
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n/an/a 140n/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
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50247156
PNG
(CHEMBL4101472)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2ccc(OCCC(C)(C)O)cc2)cc1
Show InChI InChI=1S/C30H31N3O5/c1-4-5-24(18-28(34)35)22-7-11-26(12-8-22)38-20-21-6-15-27-31-29(32-33(27)19-21)23-9-13-25(14-10-23)37-17-16-30(2,3)36/h6-15,19,24,36H,16-18,20H2,1-3H3,(H,34,35)/t24-/m0/s1
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n/an/an/an/a 72n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 receptor expressed in HEK293 cells assessed as increase in intracellular calcium flux after 2.5 hrs measured over 3 m...


J Med Chem 61: 934-945 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01411
BindingDB Entry DOI: 10.7270/Q2CZ39K5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50247156
PNG
(CHEMBL4101472)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2ccc(OCCC(C)(C)O)cc2)cc1
Show InChI InChI=1S/C30H31N3O5/c1-4-5-24(18-28(34)35)22-7-11-26(12-8-22)38-20-21-6-15-27-31-29(32-33(27)19-21)23-9-13-25(14-10-23)37-17-16-30(2,3)36/h6-15,19,24,36H,16-18,20H2,1-3H3,(H,34,35)/t24-/m0/s1
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n/an/an/an/a 301n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human PK-tagged GPR40 expressed in HEK293 cells assessed as EA-tagged beta-arrestin recruitment after 90 mins in presence of 1 % ...


J Med Chem 61: 934-945 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01411
BindingDB Entry DOI: 10.7270/Q2CZ39K5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)
BDBM50247156
PNG
(CHEMBL4101472)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2ccc(OCCC(C)(C)O)cc2)cc1
Show InChI InChI=1S/C30H31N3O5/c1-4-5-24(18-28(34)35)22-7-11-26(12-8-22)38-20-21-6-15-27-31-29(32-33(27)19-21)23-9-13-25(14-10-23)37-17-16-30(2,3)36/h6-15,19,24,36H,16-18,20H2,1-3H3,(H,34,35)/t24-/m0/s1
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n/an/an/an/a 68n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at rat PK-tagged GPR40 expressed in human U2OS cells assessed as EA-tagged beta-arrestin recruitment after 90 mins in presence of 1 ...


J Med Chem 61: 934-945 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01411
BindingDB Entry DOI: 10.7270/Q2CZ39K5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50246570
PNG
(CHEMBL4081509)
Show SMILES [I-].CCCCN(CC(=O)NCc1ccccc1)C(=O)CCCCCn1cc[n+](C)c1\C=N/O
Show InChI InChI=1S/C24H35N5O3/c1-3-4-14-29(20-22(30)25-18-21-11-7-5-8-12-21)24(31)13-9-6-10-15-28-17-16-27(2)23(28)19-26-32/h5,7-8,11-12,16-17,19H,3-4,6,9-10,13-15,18,20H2,1-2H3,(H,25,30)/p+1
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n/an/a 5.00E+4n/an/an/an/an/an/a



TNO

Curated by ChEMBL


Assay Description
Reactivation of organophosphate inhibited human erythrocyte AChE assessed as organophosphate IC50 using acetylthiocholine iodide as substrate preincu...


J Med Chem 60: 9376-9392 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01083
BindingDB Entry DOI: 10.7270/Q27W6FMG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50246570
PNG
(CHEMBL4081509)
Show SMILES [I-].CCCCN(CC(=O)NCc1ccccc1)C(=O)CCCCCn1cc[n+](C)c1\C=N/O
Show InChI InChI=1S/C24H35N5O3/c1-3-4-14-29(20-22(30)25-18-21-11-7-5-8-12-21)24(31)13-9-6-10-15-28-17-16-27(2)23(28)19-26-32/h5,7-8,11-12,16-17,19H,3-4,6,9-10,13-15,18,20H2,1-2H3,(H,25,30)/p+1
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n/an/an/a 3.52E+5n/an/an/an/an/a



TNO

Curated by ChEMBL


Assay Description
Reactivation of sarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...


J Med Chem 60: 9376-9392 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01083
BindingDB Entry DOI: 10.7270/Q27W6FMG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50246570
PNG
(CHEMBL4081509)
Show SMILES [I-].CCCCN(CC(=O)NCc1ccccc1)C(=O)CCCCCn1cc[n+](C)c1\C=N/O
Show InChI InChI=1S/C24H35N5O3/c1-3-4-14-29(20-22(30)25-18-21-11-7-5-8-12-21)24(31)13-9-6-10-15-28-17-16-27(2)23(28)19-26-32/h5,7-8,11-12,16-17,19H,3-4,6,9-10,13-15,18,20H2,1-2H3,(H,25,30)/p+1
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n/an/an/a 1.22E+5n/an/an/an/an/a



TNO

Curated by ChEMBL


Assay Description
Reactivation of cyclosarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substr...


J Med Chem 60: 9376-9392 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01083
BindingDB Entry DOI: 10.7270/Q27W6FMG
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


(Homo sapiens (Human))
BDBM50247152
PNG
(CHEMBL4064532)
Show SMILES CCCCOc1cccc(OC2CN(C2)c2nc3ccc(cc3o2)C(C)NC(C)=O)c1
Show InChI InChI=1S/C24H29N3O4/c1-4-5-11-29-19-7-6-8-20(13-19)30-21-14-27(15-21)24-26-22-10-9-18(12-23(22)31-24)16(2)25-17(3)28/h6-10,12-13,16,21H,4-5,11,14-15H2,1-3H3,(H,25,28)
PDB
MMDB

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UniProtKB/SwissProt

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ACC2 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