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Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50204708
Substrate
n/a
Meas. Tech.
ChEMBL_442099 (CHEMBL891237)
IC50
1600±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:
BDBM50204708
Synonyms:
(1r,4r)-N-((3-(4-ethoxyphenyl)-1,4-dihydroindeno[1,2-c]pyrazol-6-yl)methyl)-4-methylcyclohexanamine | CHEMBL243818
Type:
Small organic molecule
Emp. Form.:
C26H31N3O
Mol. Mass.:
401.5438
SMILES:
CCOc1ccc(cc1)-c1n[nH]c-2c1Cc1cc(CN[C@H]3CC[C@H](C)CC3)ccc-21 |wU:20.21,wD:23.25,(13.23,-40.56,;11.98,-39.65,;10.58,-40.28,;9.33,-39.37,;7.92,-40,;6.68,-39.09,;6.85,-37.56,;8.25,-36.94,;9.49,-37.83,;5.61,-36.66,;5.61,-35.1,;4.13,-34.62,;3.21,-35.88,;4.12,-37.14,;3.21,-38.39,;1.74,-37.91,;.4,-38.68,;-.93,-37.91,;-2.26,-38.67,;-3.6,-37.9,;-4.93,-38.67,;-4.93,-40.21,;-6.27,-40.97,;-7.61,-40.2,;-8.94,-40.96,;-7.6,-38.66,;-6.27,-37.9,;-.93,-36.36,;.4,-35.59,;1.74,-36.36,)|
Structure:
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