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Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50204725
Substrate
n/a
Meas. Tech.
ChEMBL_442099 (CHEMBL891237)
IC50
4825±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:
BDBM50204725
Synonyms:
CHEMBL243399 | N-(4-(6-(((1r,4r)-4-methylcyclohexylamino)methyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenyl)acetamide
Type:
Small organic molecule
Emp. Form.:
C26H30N4O
Mol. Mass.:
414.5426
SMILES:
C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(NC(C)=O)cc2)c1 |wU:4.7,wD:1.0,(-9.6,-13.62,;-8.27,-12.85,;-6.93,-13.62,;-5.6,-12.86,;-5.59,-11.33,;-6.94,-10.55,;-8.26,-11.31,;-4.26,-10.56,;-2.93,-11.33,;-1.6,-10.56,;-1.6,-9.02,;-.27,-8.25,;1.07,-9.01,;1.07,-10.56,;2.54,-11.04,;3.45,-9.79,;4.94,-9.31,;4.94,-7.76,;3.45,-7.28,;2.54,-8.53,;6.17,-10.21,;6.01,-11.75,;7.25,-12.65,;8.66,-12.03,;9.9,-12.93,;11.31,-12.3,;12.55,-13.21,;11.47,-10.77,;8.82,-10.49,;7.57,-9.6,;-.26,-11.33,)|
Structure:
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