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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 343.3
BDBM50456465
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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))
BDBM50456465
PNG
(CHEMBL4211027)
Show SMILES COc1ccc2NC(=O)\C(=N\N(c3ccccc3)c3ccccc3)c2c1
Show InChI InChI=1S/C21H17N3O2/c1-26-17-12-13-19-18(14-17)20(21(25)22-19)23-24(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3,(H,22,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/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))
BDBM50456465
PNG
(CHEMBL4211027)
Show SMILES COc1ccc2NC(=O)\C(=N\N(c3ccccc3)c3ccccc3)c2c1
Show InChI InChI=1S/C21H17N3O2/c1-26-17-12-13-19-18(14-17)20(21(25)22-19)23-24(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3,(H,22,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/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