BDBM223552 US9321748, 12

SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CN2CCOCC2)cc1

InChI Key InChIKey=CFVWLNQPGCBNKV-UHFFFAOYSA-N

Data  6 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 223552   

TargetLeucine-rich repeat serine/threonine-protein kinase 2 [970-2527,G2019S](Homo sapiens (Human))
H. Lundbeck

US Patent
LigandPNGBDBM223552(US9321748, 12)
Affinity DataIC50:  160nMpH: 8.5 T: 2°CAssay Description:The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetLeucine-rich repeat serine/threonine-protein kinase 2 [970-2527](Homo sapiens (Human))
H. Lundbeck

US Patent
LigandPNGBDBM223552(US9321748, 12)
Affinity DataIC50:  300nMpH: 8.5 T: 2°CAssay Description:The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM223552(US9321748, 12)
Affinity DataIC50:  920nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM223552(US9321748, 12)
Affinity DataIC50:  160nMAssay Description:Inhibition of human BRD4 bromo domain 1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM223552(US9321748, 12)
Affinity DataIC50:  2.10E+3nMAssay Description:Inhibition of human BRD4 bromo domain 1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM223552(US9321748, 12)
Affinity DataIC50:  300nMAssay Description:Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed