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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 = 'BDBM223554'   
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))
BDBM223554
PNG
(US9321748, 14)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CCN2CCOCC2)cc1
Show InChI InChI=1S/C22H28N6O/c1-16(2)28-15-21(25-26-28)20-13-19(14-24-22(20)23)18-5-3-17(4-6-18)7-8-27-9-11-29-12-10-27/h3-6,13-16H,7-12H2,1-2H3,(H2,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 340n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus preincubated for 30 mins followed by fluorescein-...


Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM223554
PNG
(US9321748, 14)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CCN2CCOCC2)cc1
Show InChI InChI=1S/C22H28N6O/c1-16(2)28-15-21(25-26-28)20-13-19(14-24-22(20)23)18-5-3-17(4-6-18)7-8-27-9-11-29-12-10-27/h3-6,13-16H,7-12H2,1-2H3,(H2,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate...


Bioorg Med Chem Lett 27: 4500-4505 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SF2ZMN
More data for this
Ligand-Target Pair