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Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50220753
Substrate
n/a
Meas. Tech.
ChEMBL_457662 (CHEMBL923939)
IC50
0.800000±n/a nM
Citation
 Tao, ZF; Li, G; Tong, Y; Stewart, KD; Chen, Z; Bui, MH; Merta, P; Park, C; Kovar, P; Zhang, H; Sham, HL; Rosenberg, SH; Sowin, TJ; Lin, NH Discovery of 4'-(1,4-dihydro-indeno[1,2-c]pyrazol-3-yl)-benzonitriles and 4'-(1,4-dihydro-indeno[1,2-c]pyrazol-3-yl)-pyridine-2'-carbonitriles as potent checkpoint kinase 1 (Chk1) inhibitors. Bioorg Med Chem Lett 17:5944-51 (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:
BDBM50220753
Synonyms:
5-(6,7-dimethoxy-1,4-dihydro-indeno[1,2-c]pyrazol-3-yl)-pyridine-2-carbonitrile | 5-(6,7-dimethoxy-2,4-dihydro-indeno[1,2-c]pyrazol-3-yl)-pyridine-2-carbonitrile | CHEMBL398750 | Chk1_145
Type:
Small organic molecule
Emp. Form.:
C18H14N4O2
Mol. Mass.:
318.3294
SMILES:
COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(nc1)C#N
Structure:
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