BDBM50667713 CHEMBL6190328::US20260132140, Example 78

SMILES CN(C)[C@]1(C)CCN(c2ccc(-n3cnc(Nc4cnc(C#N)cn4)c3)cc2)C1

InChI Key InChIKey=LGDUSVMRTZFIIQ-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 = 50667713   

TargetSerine/threonine-protein kinase Chk1(Human)
BenevolentAI

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50667713BDBM50667713(CHEMBL6190328 | US20260132140, Example 78)
Affinity DataIC50: 2nMAssay 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 50667713BDBM50667713(CHEMBL6190328 | US20260132140, Example 78)
Affinity DataIC50: 10nMAssay 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 50667713BDBM50667713(CHEMBL6190328 | US20260132140, Example 78)
Affinity DataIC50: 1.10E+3nMAssay 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 50667713BDBM50667713(CHEMBL6190328 | US20260132140, Example 78)
Affinity DataIC50: 5.50E+3nMAssay 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