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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 470.3
BDBM559602

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM559602
PNG
(US11370796, Compound 30)
Show SMILES CS(=O)(=O)N1CCC(CC1)n1cc(Nc2ncc3c(Cl)cn(C4CC4)c3n2)c(Cl)n1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.02n/an/an/an/an/an/a


TBA

Assay Description
After the compound was dissolved in 100% DMSO at 10 mM, it was serially diluted to the range of 1 μM to 10 μM using biochemical LRRK2 assay...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z7J
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM559602
PNG
(US11370796, Compound 30)
Show SMILES CS(=O)(=O)N1CCC(CC1)n1cc(Nc2ncc3c(Cl)cn(C4CC4)c3n2)c(Cl)n1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
After the compound was dissolved in 100% DMSO at 10 mM, it was serially diluted to the range of 1 μM to 10 μM using biochemical LRRK2 assay...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z7J
More data for this
Ligand-Target Pair