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Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50204698
Substrate
n/a
Meas. Tech.
ChEMBL_442102 (CHEMBL891240)
EC50
>59000±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:
BDBM50204698
Synonyms:
4-{6-[(trans-4-hydroxy-cyclohexylamino)-methyl]-1,4-dihydro-indeno[1,2-c]pyrazol-3-yl}-benzoic acid | CHEMBL242521
Type:
Small organic molecule
Emp. Form.:
C24H25N3O3
Mol. Mass.:
403.4736
SMILES:
O[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C(O)=O)c1 |wU:4.7,wD:1.0,(15.95,-23.87,;17.28,-23.1,;18.62,-23.87,;19.95,-23.1,;19.93,-21.56,;18.61,-20.79,;17.28,-21.56,;21.26,-20.78,;22.6,-21.54,;23.93,-20.77,;23.92,-19.22,;25.24,-18.45,;26.58,-19.2,;26.59,-20.75,;28.07,-21.22,;28.98,-19.97,;30.46,-19.48,;30.45,-17.92,;28.96,-17.45,;28.06,-18.71,;31.7,-20.37,;31.55,-21.91,;32.8,-22.8,;34.2,-22.17,;34.35,-20.63,;33.1,-19.74,;35.45,-23.07,;36.85,-22.43,;35.3,-24.6,;25.27,-21.53,)|
Structure:
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