Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM401941
Substrate
n/a
Meas. Tech.
Kinase Inhibiting Activity Assay
IC50
36.0±n/a nM
Citation
 Boyle, RG; Walker, DW; Boyce, RJ; Peterson, S; Farouz, F; Vo, CH Pharmaceutical compounds US Patent  US10010547 Publication Date 7/3/2018 
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:
BDBM401941
Synonyms:
2-fluoro-4-[[5-[2-methoxy-4-(4-piperidyl)phenyl]-1H-pyrazol-3-yl]amino]benzonitrile hydrochloride | US10010547, Example 49 | US10973817, Example 49
Type:
Small organic molecule
Emp. Form.:
C22H22FN5O
Mol. Mass.:
391.4414
SMILES:
COc1cc(ccc1-c1cc(Nc2ccc(C#N)c(F)c2)n[nH]1)C1CCNCC1
Structure:
Search PDB for entries with ligand similarity: