BDBM50649579 CHEMBL5619795

SMILES Cn1cc(-n2ncc3cc(Cl)c(C4CCN(C5COC5)CC4)cc32)cn1

InChI Key

  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 4 hits for monomerid = 50649579   

LigandPNGBDBM50649579(CHEMBL5619795)
Affinity DataIC50: 42nMAssay Description:Inhibition of LRRK2 G2019S mutant in human SH-SY5Y cells assessed as LRRK2 pSer935 phosphorylation incubated for 90 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
LigandPNGBDBM50649579(CHEMBL5619795)
Affinity DataIC50: 108nMAssay Description:Inhibition of LRRK2 in human PBMCs assessed as Ser935 dephosphorylation incubated for 90 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
LigandPNGBDBM50649579(CHEMBL5619795)
Affinity DataIC50: 6.82E+3nMAssay Description:Inhibition of human BCRP extracted from HEK293 cells membrane assessed as reduction in [3H]-rosuvastatin uptake preincubated for 5 mins followed by A...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetATP-dependent translocase ABCB1(Human)
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50649579(CHEMBL5619795)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of P-gp (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed