Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50359819
Substrate
n/a
Meas. Tech.
ChEMBL_791990 (CHEMBL1930050)
IC50
36±n/a nM
Citation
 Reader, JCMatthews, TPKlair, SCheung, KMScanlon, JProisy, NAddison, GEllard, JPiton, NTaylor, SCherry, MFisher, MBoxall, KBurns, SWalton, MIWestwood, IMHayes, AEve, PValenti, Mde Haven Brandon, ABox, Gvan Montfort, RLWilliams, DHAherne, GWRaynaud, FIEccles, SAGarrett, MDCollins, I Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing. J Med Chem 54:8328-42 (2011) [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:
BDBM50359819
Synonyms:
CHEMBL1928692
Type:
Small organic molecule
Emp. Form.:
C18H21N7O2
Mol. Mass.:
367.405
SMILES:
COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCNCC1
Structure:
Search PDB for entries with ligand similarity: