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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 527543   
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
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM527543
PNG
(US11186587, Example 26)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(-c2ccc(cc2OC)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1 |(2.47,-4.62,;1.14,-3.85,;-.19,-4.62,;-.19,-6.16,;-1.53,-6.93,;-2.86,-6.16,;-2.86,-4.62,;-1.53,-3.85,;-1.53,-2.31,;-.19,-1.54,;-.19,,;-1.53,.77,;-2.99,.29,;-3.9,1.54,;-2.99,2.79,;-3.47,4.25,;-1.53,2.31,;-.19,3.08,;-.19,4.62,;1.14,2.31,;2.47,3.08,;2.47,4.62,;3.81,5.39,;5.19,4.65,;5.14,3.08,;3.81,2.31,;3.81,.77,;5.14,,;6.52,5.42,;7.86,4.65,;6.52,6.96,;1.14,.77,;2.47,,;-5.44,1.54,;-6.34,2.79,;-7.81,2.31,;-7.81,.77,;-6.34,.29,;-2.86,-1.54,;-4.2,-2.31,;-5.53,-1.54,;-6.86,-2.31,;-6.86,-3.85,;-5.53,-4.62,;-4.2,-3.85,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.870n/an/an/an/an/an/a


TBA

Assay Description
4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...


Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7KFV
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM527543
PNG
(US11186587, Example 26)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(-c2ccc(cc2OC)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1 |(2.47,-4.62,;1.14,-3.85,;-.19,-4.62,;-.19,-6.16,;-1.53,-6.93,;-2.86,-6.16,;-2.86,-4.62,;-1.53,-3.85,;-1.53,-2.31,;-.19,-1.54,;-.19,,;-1.53,.77,;-2.99,.29,;-3.9,1.54,;-2.99,2.79,;-3.47,4.25,;-1.53,2.31,;-.19,3.08,;-.19,4.62,;1.14,2.31,;2.47,3.08,;2.47,4.62,;3.81,5.39,;5.19,4.65,;5.14,3.08,;3.81,2.31,;3.81,.77,;5.14,,;6.52,5.42,;7.86,4.65,;6.52,6.96,;1.14,.77,;2.47,,;-5.44,1.54,;-6.34,2.79,;-7.81,2.31,;-7.81,.77,;-6.34,.29,;-2.86,-1.54,;-4.2,-2.31,;-5.53,-1.54,;-6.86,-2.31,;-6.86,-3.85,;-5.53,-4.62,;-4.2,-3.85,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10.3n/an/an/an/an/an/a


TBA

Assay Description
4.5 μL of 2.2×ACC2 enzyme (1.1 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q25H7KFV
More data for this
Ligand-Target Pair