Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50277028
Substrate
n/a
Meas. Tech.
ChEMBL_540790 (CHEMBL1033193)
IC50
3800±n/a nM
Citation
 Converso, A; Hartingh, T; Garbaccio, RM; Tasber, E; Rickert, K; Fraley, ME; Yan, Y; Kreatsoulas, C; Stirdivant, S; Drakas, B; Walsh, ES; Hamilton, K; Buser, CA; Mao, X; Abrams, MT; Beck, SC; Tao, W; Lobell, R; Sepp-Lorenzino, L; Zugay-Murphy, J; Sardana, V; Munshi, SK; Jezequel-Sur, SM; Zuck, PD; Hartman, GD Development of thioquinazolinones, allosteric Chk1 kinase inhibitors. Bioorg Med Chem Lett 19:1240-4 (2009) [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:
BDBM50277028
Synonyms:
2-[1-(2,8-Diaza-spiro[5.5]undecane-2-carbonyl)-pentylsulfanyl]-3-phenyl-3H-quinazolin-4-one | CHEMBL460848
Type:
Small organic molecule
Emp. Form.:
C29H36N4O2S
Mol. Mass.:
504.687
SMILES:
CCCCC(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N1CCCC2(CCCNC2)C1
Structure:
Search PDB for entries with ligand similarity: