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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 = 'BDBM50057115'   
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))
BDBM50057115
PNG
(CHEMBL3326119)
Show SMILES COc1ccc(OC)c(Sc2ccc3nnc(-c4cncc(OC)c4)n3n2)c1
Show InChI InChI=1S/C19H17N5O3S/c1-25-13-4-5-15(27-3)16(9-13)28-18-7-6-17-21-22-19(24(17)23-18)12-8-14(26-2)11-20-10-12/h4-11H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged truncated LRRK2 (unknown origin) using fluorescein-labeled peptide LRRKtide as substrate by LANTHA screen assay in presence ...


Bioorg Med Chem Lett 24: 4132-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.052
BindingDB Entry DOI: 10.7270/Q2D50PMD
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50057115
PNG
(CHEMBL3326119)
Show SMILES COc1ccc(OC)c(Sc2ccc3nnc(-c4cncc(OC)c4)n3n2)c1
Show InChI InChI=1S/C19H17N5O3S/c1-25-13-4-5-15(27-3)16(9-13)28-18-7-6-17-21-22-19(24(17)23-18)12-8-14(26-2)11-20-10-12/h4-11H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation at S935 residue of wild-type full-length LRRK2 kinase (unknown origin) expressed in HEK 293 cells after 90 mins by ELIS...


Bioorg Med Chem Lett 24: 4132-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.052
BindingDB Entry DOI: 10.7270/Q2D50PMD
More data for this
Ligand-Target Pair