BDBM50644460 CHEMBL5575921::US20260116889, Example 35

SMILES COc1ccc2cc1Nc1ncc(C(F)(F)F)c(n1)NCCCCN(C)C2=O

InChI Key InChIKey=AHEQQLKNUGMEJH-UHFFFAOYSA-N

  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 = 50644460   

TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Korea Advanced Institute of Science and Technology (KAIST)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50644460BDBM50644460(CHEMBL5575921 | US20260116889, Example 35)
Affinity DataIC50: 0.960nMAssay Description:Inhibition of human LRRK2 G2019S mutant using [RLGRDKYKTLRQIRQ] peptide substrate by [Gamma33P]-ATP assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Human)
Whan In Pharmaceutical Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 50644460BDBM50644460(CHEMBL5575921 | US20260116889, Example 35)
Affinity DataIC50: 1.02nMAssay Description:The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
9/9/2026
Entry Details
US Patent

TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Korea Advanced Institute of Science and Technology (KAIST)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50644460BDBM50644460(CHEMBL5575921 | US20260116889, Example 35)
Affinity DataIC50: 1.41nMAssay Description:The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
9/9/2026
Entry Details
US Patent

TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Korea Advanced Institute of Science and Technology (KAIST)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50644460BDBM50644460(CHEMBL5575921 | US20260116889, Example 35)
Affinity DataIC50: 1.5nMAssay Description:Inhibition of wild type human LRRK2 using [RLGRDKYKTLRQIRQ] peptide substrate by [Gamma33P]-ATP assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Human)
Whan In Pharmaceutical Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 50644460BDBM50644460(CHEMBL5575921 | US20260116889, Example 35)
Affinity DataIC50: 1.80nMAssay Description:The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
9/9/2026
Entry Details
US Patent

TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Korea Advanced Institute of Science and Technology (KAIST)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50644460BDBM50644460(CHEMBL5575921 | US20260116889, Example 35)
Affinity DataIC50: 3.72nMAssay Description:The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
9/9/2026
Entry Details
US Patent