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Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50221603
Substrate
n/a
Meas. Tech.
ChEMBL_457662 (CHEMBL923939)
IC50
1743±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:
BDBM50221603
Synonyms:
4-(6,7-dimethoxy-2,4-dihydro-indeno[1,2-c]pyrazol-3-ylethynyl)-benzonitrile | CHEMBL399253
Type:
Small organic molecule
Emp. Form.:
C21H18N4O3
Mol. Mass.:
374.3926
SMILES:
COc1cc2Cc3c(n[nH]c3C#Cc3ccc(NC(N)=O)cc3)-c2cc1OC
Structure:
Search PDB for entries with ligand similarity: