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Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50204717
Substrate
n/a
Meas. Tech.
ChEMBL_442099 (CHEMBL891237)
IC50
1880±n/a nM
Citation
 Tong, Y; Claiborne, A; Stewart, KD; Park, C; Kovar, P; Chen, Z; Credo, RB; Gu, WZ; Gwaltney, SL; Judge, RA; Zhang, H; Rosenberg, SH; Sham, HL; Sowin, TJ; Lin, NH Discovery of 1,4-dihydroindeno[1,2-c]pyrazoles as a novel class of potent and selective checkpoint kinase 1 inhibitors. Bioorg Med Chem 15:2759-67 (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:
BDBM50204717
Synonyms:
2-(4-(6-(((1s,4s)-4-methylcyclohexylamino)methyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenyl)acetonitrile | CHEMBL242324
Type:
Small organic molecule
Emp. Form.:
C26H28N4
Mol. Mass.:
396.5273
SMILES:
C[C@H]1CC[C@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(CC#N)cc2)c1 |wU:4.7,1.0,(20.38,-23.67,;21.71,-22.91,;21.73,-21.37,;23.05,-20.61,;24.39,-21.39,;24.38,-22.92,;23.05,-23.67,;25.72,-20.62,;27.05,-21.39,;28.38,-20.62,;28.39,-19.07,;29.71,-18.31,;31.05,-19.07,;31.05,-20.62,;32.52,-21.1,;33.44,-19.85,;34.91,-19.37,;34.92,-17.82,;33.43,-17.34,;32.52,-18.59,;36.16,-20.27,;36,-21.8,;37.24,-22.71,;38.64,-22.08,;39.89,-22.98,;41.29,-22.35,;42.69,-21.72,;38.8,-20.55,;37.55,-19.65,;29.72,-21.39,)|
Structure:
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