Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM401980
Substrate
n/a
Meas. Tech.
Kinase Inhibiting Activity Assay
IC50
0.079±n/a nM
Citation
 Boyle, RG; Walker, DW; Boyce, RJ; Peterson, S; Farouz, F; Vo, CH Pharmaceutical compounds US Patent  US10973817 Publication Date 4/13/2021 
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:
BDBM401980
Synonyms:
5-[[5-[4-(3-fluoro-1-isopropyl-4-piperidyl)-2-methoxy-phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile hydrochloride | US10010547, Example 88 | US10973817, Example 88
Type:
Small organic molecule
Emp. Form.:
C23H26FN7O
Mol. Mass.:
435.4972
SMILES:
COc1cc(ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1)C1CCN(CC1F)C(C)C
Structure:
Search PDB for entries with ligand similarity: