Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM590751
Substrate
n/a
Meas. Tech.
Inhibitory Activity Assay
IC50
0.730±n/a nM
Citation
 Kamioka, S; Ban, H; Matsuoka, M; Hirose, W; Shimada, N; Hayashi, K; Umehara, H 5-heteroaryl-1H-pyrazol-3-amine derivative US Patent  US11564920 Publication Date 1/31/2023 
Target
Name:
Serine/threonine-protein kinase Chk1
Synonyms:
CHEK1 | CHK1 | CHK1 checkpoint homolog | CHK1_HUMAN | Checkpoint kinase-1 (CHK1)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
54443.02
Organism:
Homo sapiens (Human)
Description:
gi_166295192
Residue:
476
Sequence:
MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICINKMLNHENVVKFYGHRREGNIQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGFSKHIQSNLDFSPVNSASSEENVKYSSSQPEPRTGLSLWDTSPSYIDKLVQGISFSQPTCPDHMLLNSQLLGTPGSSQNPWQRLVKRMTRFFTKLDADKSYQCLKETCEKLGYQWKKSCMNQVTISTTDRRNNKLIFKVNLLEMDDKILVDFRLSKGDGLEFKRHFLKIKGKLIDIVSSQKIWLPAT
  
Inhibitor
Name:
BDBM590751
Synonyms:
US11564920, Example 36
Type:
Small organic molecule
Emp. Form.:
C20H20N8O2
Mol. Mass.:
404.4252
SMILES:
COc1cncc(O[C@H]2C[C@H](N)[C@H]3C[C@@H]23)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
Structure:
Search PDB for entries with ligand similarity: