Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50277035
Substrate
n/a
Meas. Tech.
ChEMBL_540790 (CHEMBL1033193)
IC50
17000±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:
BDBM50277035
Synonyms:
1-(2-(3-(3-chlorophenyl)-8-methyl-4-oxo-3,4-dihydroquinazolin-2-ylthio)hexanoyl)piperidine-4-carboxamide | CHEMBL515194
Type:
Small organic molecule
Emp. Form.:
C27H31ClN4O3S
Mol. Mass.:
527.078
SMILES:
CCCCC(Sc1nc2c(C)cccc2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC(CC1)C(N)=O
Structure:
Search PDB for entries with ligand similarity: