BDBM50667700 CHEMBL6193085::US20260132140, Example 183

SMILES N#Cc1cnc(Nc2cn(-c3ccc(N4CCN(CCF)CC4)cc3)cn2)cn1

InChI Key InChIKey=LTUPKPCNKYHOIY-UHFFFAOYSA-N

Data  4 IC50

  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 = 50667700   

TargetSerine/threonine-protein kinase Chk1(Human)
BenevolentAI

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50667700BDBM50667700(CHEMBL6193085 | US20260132140, Example 183)
Affinity DataIC50: 40nMAssay Description:Inhibition of N-terminal GST-fused human full length CHK1 (1 to 476 residues) expressed in baculovirus-infected Sf21 cells using STK1 S1 as substrate...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetSerine/threonine-protein kinase Chk1(Human)
BenevolentAI

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50667700BDBM50667700(CHEMBL6193085 | US20260132140, Example 183)
Affinity DataIC50: 56nMAssay Description:Table 20: 2 μL enzyme/substrate solution (1 nM Chk-1 (Carna Bioscience #02-177), in solution with 30 μM ATP, 4 μM STK1 S1 (Cisbio #62ST1PEB) in assay...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
9/23/2026
Entry Details
US Patent

TargetSerine/threonine-protein kinase Chk2(Human)
BenevolentAI

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50667700BDBM50667700(CHEMBL6193085 | US20260132140, Example 183)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of N-terminal GST-fused human full length CHK2 (1 to 543 residues) expressed in baculovirus-infected Sf21 cells using STK1 S1 as substrate...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetSerine/threonine-protein kinase Chk2(Human)
BenevolentAI

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50667700BDBM50667700(CHEMBL6193085 | US20260132140, Example 183)
Affinity DataIC50: 5.50E+4nMAssay Description:Table 23: 2 μL enzyme/substrate solution (2 nM Chk-1 (Carna Bioscience #02-162), in solution with 200 μM ATP, 4 μM STK1 S1 (Cisbio #62ST1PEB) in assa...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
9/23/2026
Entry Details
US Patent