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BDBM228657 GSK3-XIII

SMILES: Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)n[nH]1

InChI Key: InChIKey=JYCUVOXSZBECAY-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 228657   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leucine-rich repeat kinase 2 (LRRK2 t-WT)


(Homo sapiens (Human))
BDBM228657
PNG
(GSK3-XIII)
Show SMILES Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)n[nH]1
Show InChI InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)
PDB

GoogleScholar
DrugBank
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 200n/an/an/an/a7.425



Harvard NeuroDiscovery Center



Assay Description
The kinase assays for phosphorylation of LRRKtide (RLGRDKYKTLRQIRQ) or LRRKtideS (RLGRDKYKSLRQIRQ) were conducted in buffer containing 20 mM HEPES (p...


J Biol Chem 289: 13042-53 (2014)


Article DOI: 10.1074/jbc.M113.537811
BindingDB Entry DOI: 10.7270/Q28S4NT5
More data for this
Ligand-Target Pair
Leucine-rich repeat kinase 2 (LRRK2 t-WT)


(Homo sapiens (Human))
BDBM228657
PNG
(GSK3-XIII)
Show SMILES Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)n[nH]1
Show InChI InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)
PDB

GoogleScholar
DrugBank
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/a7.425



Harvard NeuroDiscovery Center



Assay Description
The kinase assays for phosphorylation of LRRKtide (RLGRDKYKTLRQIRQ) or LRRKtideS (RLGRDKYKSLRQIRQ) were conducted in buffer containing 20 mM HEPES (p...


J Biol Chem 289: 13042-53 (2014)


Article DOI: 10.1074/jbc.M113.537811
BindingDB Entry DOI: 10.7270/Q28S4NT5
More data for this
Ligand-Target Pair