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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Leucine-rich repeat serine/threonine-protein kinase 2' and Ligand = 'BDBM50456458'   
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))
BDBM50456458
PNG
(CHEMBL4206654)
Show SMILES Fc1ccc2NC(=O)C(=NN3CCCCC3)c2c1
Show InChI InChI=1S/C13H14FN3O/c14-9-4-5-11-10(8-9)12(13(18)15-11)16-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2,(H,15,16,18)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC

Curated by ChEMBL


Assay Description
Inhibition of recombinant catalytic human GST-tagged LLRK2 (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as substr...


Eur J Med Chem 138: 328-342 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.060
BindingDB Entry DOI: 10.7270/Q2V40XTP
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50456458
PNG
(CHEMBL4206654)
Show SMILES Fc1ccc2NC(=O)C(=NN3CCCCC3)c2c1
Show InChI InChI=1S/C13H14FN3O/c14-9-4-5-11-10(8-9)12(13(18)15-11)16-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2,(H,15,16,18)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.01E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC

Curated by ChEMBL


Assay Description
Inhibition of recombinant catalytic human GST-tagged LLRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus expression system using LRRK...


Eur J Med Chem 138: 328-342 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.060
BindingDB Entry DOI: 10.7270/Q2V40XTP
More data for this
Ligand-Target Pair