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Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50224601
Substrate
n/a
Meas. Tech.
ChEMBL_450842 (CHEMBL899928)
IC50
25±n/a nM
Citation
 Li, G; Tao, ZF; Tong, Y; Przytulinska, MK; Kovar, P; Merta, P; Chen, Z; Zhang, H; Sowin, T; Rosenberg, SH; Lin, NH Synthesis and in-vitro biological activity of macrocyclic urea Chk1 inhibitors. Bioorg Med Chem Lett 17:6499-504 (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:
BDBM50224601
Synonyms:
7-methoxy-3-oxo-11,17-dioxa-2,4,20,22-tetraaza-tricyclo[16.3.1.0*5,10*]docosa-1(21),5,7,9,18(22),19-hexaene-19-carbonitrile | CHEMBL238355
Type:
Small organic molecule
Emp. Form.:
C18H19N5O4
Mol. Mass.:
369.3746
SMILES:
COc1ccc2OCCCCCOc3nc(NC(=O)Nc2c1)cnc3C#N
Structure:
Search PDB for entries with ligand similarity: