Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50218718
Substrate
n/a
Meas. Tech.
ChEMBL_444965 (CHEMBL894121)
IC50
910±n/a nM
Citation
 Wang, L; Sullivan, GM; Hexamer, LA; Hasvold, LA; Thalji, R; Przytulinska, M; Tao, ZF; Li, G; Chen, Z; Xiao, Z; Gu, WZ; Xue, J; Bui, MH; Merta, P; Kovar, P; Bouska, JJ; Zhang, H; Park, C; Stewart, KD; Sham, HL; Sowin, TJ; Rosenberg, SH; Lin, NH Design, synthesis, and biological activity of 5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one-based potent and selective Chk-1 inhibitors. J Med Chem 50:4162-76 (2007) [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:
BDBM50218718
Synonyms:
CHEMBL388435 | methyl 2-(3-(3-Methoxy-4-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)acetate
Type:
Small organic molecule
Emp. Form.:
C23H20N2O5
Mol. Mass.:
404.4153
SMILES:
COC(=O)Cc1ccc2Oc3cc(ccc3C(=O)Nc2c1)-c1ccc(N)c(OC)c1
Structure:
Search PDB for entries with ligand similarity: