Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM14825
Substrate
biotinylated cdc25c peptide substrate
Meas. Tech.
CHK1 Scintillation Proximity Assay
pH
7.5±n/a
Temperature
295.15±n/a K
IC50
4000±n/a nM
Citation
 Lyne, PD; Kenny, PW; Cosgrove, DA; Deng, C; Zabludoff, S; Wendoloski, JJ; Ashwell, S Identification of compounds with nanomolar binding affinity for checkpoint kinase-1 using knowledge-based virtual screening. J Med Chem 47:1962-8 (2004) [PubMed]  Article 
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:
BDBM14825
Synonyms:
3-[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-2-oxo-2,3-dihydro-1H-indole-6-carbonitrile | 3-{7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}-2-oxo-2,3-dihydro-1H-indole-6-carbonitrile | AstraZeneca compound 2
Type:
Small organic molecule
Emp. Form.:
C24H23N5O3
Mol. Mass.:
429.4711
SMILES:
O=C1Nc2cc(ccc2C1c1ncnc2cc(OCCCN3CCOCC3)ccc12)C#N
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
biotinylated cdc25c peptide substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
2574.94
Organism:
n/a
Description:
n/a
Residue:
22
Sequence:
ITINRSGLYRSPSMPENLNRPR