Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50330774
Substrate
n/a
Meas. Tech.
ChEMBL_685392 (CHEMBL1287592)
IC50
235±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:
BDBM50330774
Synonyms:
5-{3-[3-(Guanidino)propylcarbamoyl]benzylaminocarboyl}-1,3-dihydropyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione hydrochloride | CHEMBL1277043
Type:
Small organic molecule
Emp. Form.:
C27H25N7O4
Mol. Mass.:
511.5319
SMILES:
NC(N)=NCCCNC(=O)c1cccc(CNC(=O)c2cc3C(=O)NC(=O)c3c3c4ccccc4[nH]c23)c1 |(18.17,-28.3,;16.64,-28.3,;15.87,-29.63,;15.87,-26.97,;14.34,-26.97,;13.58,-25.65,;12.04,-25.65,;11.27,-24.33,;9.73,-24.33,;8.96,-25.66,;8.97,-23.01,;9.73,-21.68,;8.94,-20.35,;7.41,-20.36,;6.66,-21.71,;5.12,-21.71,;4.36,-20.4,;2.83,-20.4,;2.06,-21.72,;2.06,-19.07,;2.82,-17.73,;2.03,-16.4,;2.5,-14.93,;3.96,-14.45,;1.25,-14.04,;.01,-14.95,;-1.45,-14.49,;.49,-16.41,;-.26,-17.75,;-1.77,-18.08,;-3.02,-17.18,;-4.42,-17.81,;-4.58,-19.34,;-3.34,-20.24,;-1.93,-19.62,;-.51,-20.24,;.51,-19.08,;7.43,-23.02,)|
Structure:
Search PDB for entries with ligand similarity: