BDBM50398668 CHEMBL2178134::US8802674, 256

SMILES CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F

InChI Key InChIKey=XCFLWTZSJYBCPF-UHFFFAOYSA-N

Data  3 KI  5 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50398668   

LigandPNGBDBM50398668(CHEMBL2178134 | US8802674, 256)
Affinity DataIC50: 9nMAssay Description:Inhibition of autophosphorylation of LRRK2 in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50398668(CHEMBL2178134 | US8802674, 256)
Affinity DataIC50: 97nMAssay 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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50398668(CHEMBL2178134 | US8802674, 256)
Affinity DataIC50: 97nMAssay 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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50398668(CHEMBL2178134 | US8802674, 256)
Affinity DataIC50: 1nMAssay Description:Inhibition of LRRK2 G2019S mutant (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50398668(CHEMBL2178134 | US8802674, 256)
Affinity DataIC50: 9nMAssay Description:Inhibition of LRRK2 (unknown origin) phosphorylationMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50398668(CHEMBL2178134 | US8802674, 256)
Affinity DataKi:  1nMAssay Description:Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50398668(CHEMBL2178134 | US8802674, 256)
Affinity DataKi:  1nMAssay Description:Inhibition of LRRK2 G2019S mutant (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50398668(CHEMBL2178134 | US8802674, 256)
Affinity DataKi:  2nMAssay Description:This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)