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Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50330776
Substrate
n/a
Meas. Tech.
ChEMBL_685392 (CHEMBL1287592)
IC50
2.8±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:
BDBM50330776
Synonyms:
5-{3-[2-(Guanidino)ethylcarbamoyl]benzylaminocarboyl}-9-hydroxy-1,3-dihydropyrrolo[3,4-c]carbazole-1,3-(2H,6H)-dione hydrochloride | CHEMBL1276955
Type:
Small organic molecule
Emp. Form.:
C26H23N7O5
Mol. Mass.:
513.5047
SMILES:
NC(N)=NCCNC(=O)c1cccc(CNC(=O)c2cc3C(=O)NC(=O)c3c3c4cc(O)ccc4[nH]c23)c1 |(42.85,-6.31,;42.23,-7.72,;43.14,-8.96,;40.7,-7.89,;39.79,-6.65,;38.26,-6.82,;37.35,-5.58,;35.82,-5.74,;35.2,-7.15,;34.91,-4.5,;35.53,-3.09,;34.61,-1.85,;33.08,-2.03,;32.48,-3.43,;30.95,-3.6,;30.04,-2.36,;28.51,-2.53,;27.89,-3.94,;27.59,-1.29,;28.21,.13,;27.3,1.37,;27.61,2.88,;29.01,3.51,;26.27,3.64,;25.12,2.6,;23.62,2.91,;25.76,1.2,;25.15,-.21,;23.68,-.7,;22.34,.06,;21.01,-.71,;19.68,.06,;21.01,-2.25,;22.35,-3.02,;23.68,-2.25,;25.16,-2.72,;26.06,-1.46,;33.38,-4.67,)|
Structure:
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