Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50091320
Substrate
n/a
Meas. Tech.
ChEMBL_1500168 (CHEMBL3584717)
IC50
1.8±n/a nM
Citation
 Gazzard, L; Williams, K; Chen, H; Axford, L; Blackwood, E; Burton, B; Chapman, K; Crackett, P; Drobnick, J; Ellwood, C; Epler, J; Flagella, M; Gancia, E; Gill, M; Goodacre, S; Halladay, J; Hewitt, J; Hunt, H; Kintz, S; Lyssikatos, J; Macleod, C; Major, S; Médard, G; Narukulla, R; Ramiscal, J; Schmidt, S; Seward, E; Wiesmann, C; Wu, P; Yee, S; Yen, I; Malek, S Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1. J Med Chem 58:5053-74 (2015) [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:
BDBM50091320
Synonyms:
CHEMBL3582207
Type:
Small organic molecule
Emp. Form.:
C23H21N5O
Mol. Mass.:
383.4457
SMILES:
OC1CCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)CC1
Structure:
Search PDB for entries with ligand similarity: