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Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50276993
Substrate
n/a
Meas. Tech.
ChEMBL_540790 (CHEMBL1033193)
IC50
>100000±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:
BDBM50276993
Synonyms:
2-(4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-hexanoic acid adamantan-1-ylamide | CHEMBL459793
Type:
Small organic molecule
Emp. Form.:
C30H35N3O2S
Mol. Mass.:
501.683
SMILES:
CCCCC(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:29.28.33:31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26|
Structure:
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