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Compile Data Set for Download or QSAR

Found 3 hits of ic50 data for polymerid = 50002047   
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-Coenzyme A carboxylase


(Mus musculus)
BDBM50247081
PNG
(CHEMBL4060253)
Show SMILES CC(NC(C)=O)c1ccc2nc(oc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)nc1
Show InChI InChI=1S/C26H25N3O4/c1-16(28-17(2)30)19-8-10-23-24(12-19)33-26(29-23)20-9-11-25(27-14-20)32-22-5-3-4-21(13-22)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 0.180n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of mouse His-tagged ACC1 expressed in baculovirus infected SF9 cells using acetyl-CoA as substrate incubated for 60 mins followed by subst...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126749
More data for this
Ligand-Target Pair
Acetyl-Coenzyme A carboxylase


(Mus musculus)
BDBM50529222
PNG
(CHEMBL4528475)
Show SMILES CC(NC(N)=O)c1ccc2nc(oc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)nc1
Show InChI InChI=1S/C25H24N4O4/c1-15(28-25(26)30)17-7-9-21-22(11-17)33-24(29-21)18-8-10-23(27-13-18)32-20-4-2-3-19(12-20)31-14-16-5-6-16/h2-4,7-13,15-16H,5-6,14H2,1H3,(H3,26,28,30)
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n/an/a 3.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of mouse His-tagged ACC1 expressed in baculovirus infected SF9 cells using acetyl-CoA as substrate incubated for 60 mins followed by subst...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126749
More data for this
Ligand-Target Pair
Acetyl-Coenzyme A carboxylase


(Mus musculus)
BDBM50446514
PNG
(CHEMBL3110076)
Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)C2(CCC2)NC(C)=O)c(C)c1
Show InChI InChI=1S/C22H31N5O3/c1-5-29-18-7-8-19(15(2)13-18)26-11-12-27(16(3)14-26)21-23-20(30-25-21)22(9-6-10-22)24-17(4)28/h7-8,13,16H,5-6,9-12,14H2,1-4H3,(H,24,28)/t16-/m0/s1
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n/an/a 427n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of mouse ACC1


J Med Chem 56: 10132-41 (2013)


Article DOI: 10.1021/jm401601s
BindingDB Entry DOI: 10.7270/Q2WW7K5K
More data for this
Ligand-Target Pair