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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50247153   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50247153
PNG
(CHEMBL4082153)
Show SMILES CC(NC(C)=O)c1ccc2nc(oc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)cn1
Show InChI InChI=1S/C26H25N3O4/c1-16(28-17(2)30)19-8-10-23-25(12-19)33-26(29-23)24-11-9-22(14-27-24)32-21-5-3-4-20(13-21)31-15-18-6-7-18/h3-5,8-14,16,18H,6-7,15H2,1-2H3,(H,28,30)
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Article
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n/an/a 7.10n/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))
BDBM50247153
PNG
(CHEMBL4082153)
Show SMILES CC(NC(C)=O)c1ccc2nc(oc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)cn1
Show InChI InChI=1S/C26H25N3O4/c1-16(28-17(2)30)19-8-10-23-25(12-19)33-26(29-23)24-11-9-22(14-27-24)32-21-5-3-4-20(13-21)31-15-18-6-7-18/h3-5,8-14,16,18H,6-7,15H2,1-2H3,(H,28,30)
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PubMed
n/an/a 9.90n/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


(Homo sapiens (Human))
BDBM50247153
PNG
(CHEMBL4082153)
Show SMILES CC(NC(C)=O)c1ccc2nc(oc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)cn1
Show InChI InChI=1S/C26H25N3O4/c1-16(28-17(2)30)19-8-10-23-25(12-19)33-26(29-23)24-11-9-22(14-27-24)32-21-5-3-4-20(13-21)31-15-18-6-7-18/h3-5,8-14,16,18H,6-7,15H2,1-2H3,(H,28,30)
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n/an/a 1.40E+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