BDBM50590216 CHEMBL5172722::US20240308980, Ex-4.12

SMILES COC1CN(C1)c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(cn1)C(F)(F)F

InChI Key InChIKey=KHTCIOWVELAJLF-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50590216   

LigandPNGBDBM50590216(CHEMBL5172722 | US20240308980, Ex-4.12)
Affinity DataIC50: 28nMAssay Description:Inhibition of recombinant human GST20 tagged truncated LRRK2 G2019S mutant assessed as substrate phosphorylation preincubated for 15 mins followed by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
LigandPNGBDBM50590216(CHEMBL5172722 | US20240308980, Ex-4.12)
Affinity DataIC50: 2.80nMAssay Description:Inhibition of human LRRK2 G2019S mutant expressed in human SH-SY5Y cells assessed as inhibition of tetracycline induced LRRK2 phosphorylation at Ser9...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetDual specificity protein kinase CLK2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50590216(CHEMBL5172722 | US20240308980, Ex-4.12)
Affinity DataIC50: 67nMAssay Description:Inhibition of CLK2 (unknown origin) assessed as substrate phosphorylation using coumarin and fluorescein-labeled peptide as substrate incubated for 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50590216(CHEMBL5172722 | US20240308980, Ex-4.12)
Affinity DataIC50: 2.81E+4nMAssay Description:Compound potency against LRRK2 kinase activity was determined using LanthaScreen technology from Life Technologies Corporation (Carlsbad, CA) using a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/16/2025
Entry Details
Go to US Patent