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Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50280450
Substrate
n/a
Meas. Tech.
ChEMBL_651707 (CHEMBL1228397)
IC50
10±n/a nM
Citation
Oza, V; Ashwell, S; Brassil, P; Breed, J; Deng, C; Ezhuthachan, J; Haye, H; Horn, C; Janetka, J; Lyne, P; Newcombe, N; Otterbien, L; Pass, M; Read, J; Roswell, S; Su, M; Toader, D; Yu, D; Yu, Y; Valentine, A; Webborn, P; White, A; Zabludoff, S; Zheng, X Discovery of a novel class of triazolones as checkpoint kinase inhibitors--hit to lead exploration. Bioorg Med Chem Lett 20:5133-8 (2010) [PubMed] Article
More Info.:
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:
BDBM50280450
Synonyms:
18-hydroxy-3-methoxy-2-methyl-4-methylamino-(2R,3S,4S,6S)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one | CHEMBL574737 | UCN-01 | UCN-02
Type:
Small organic molecule
Emp. Form.:
C28H26N4O4
Mol. Mass.:
482.5304
SMILES:
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r|