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Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50330777
Substrate
n/a
Meas. Tech.
ChEMBL_685392 (CHEMBL1287592)
IC50
123±n/a nM
Citation
 Sako, Y; Ichikawa, S; Osada, A; Matsuda, A Synthesis and evaluation of 5-substituted 9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as check point 1 kinase inhibitors. Bioorg Med Chem 18:7878-89 (2010) [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:
BDBM50330777
Synonyms:
5-{3-[2-(Guanidino)ethylcarbamoyl]benzylaminocarboyl}-1,3-dihydropyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione hydrochloride | CHEMBL1276867
Type:
Small organic molecule
Emp. Form.:
C26H23N7O4
Mol. Mass.:
497.5053
SMILES:
NC(N)=NCCNC(=O)c1cccc(CNC(=O)c2cc3C(=O)NC(=O)c3c3c4ccccc4[nH]c23)c1 |(13.06,-5.78,;12.45,-7.19,;13.36,-8.43,;10.92,-7.36,;10.01,-6.12,;8.48,-6.29,;7.57,-5.05,;6.04,-5.22,;5.42,-6.62,;5.13,-3.98,;5.75,-2.57,;4.83,-1.32,;3.3,-1.5,;2.7,-2.91,;1.17,-3.07,;.26,-1.83,;-1.27,-2,;-1.89,-3.41,;-2.19,-.76,;-1.57,.65,;-2.49,1.9,;-2.17,3.41,;-.77,4.04,;-3.52,4.17,;-4.66,3.13,;-6.16,3.44,;-4.02,1.72,;-4.63,.32,;-6.11,-.17,;-7.44,.59,;-8.77,-.18,;-8.77,-1.72,;-7.44,-2.49,;-6.1,-1.72,;-4.62,-2.19,;-3.72,-.93,;3.6,-4.14,)|
Structure:
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