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Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50185221
Substrate
n/a
Meas. Tech.
ChEMBL_359757 (CHEMBL871263)
IC50
0.350000±n/a nM
Citation
 Ni, ZJ; Barsanti, P; Brammeier, N; Diebes, A; Poon, DJ; Ng, S; Pecchi, S; Pfister, K; Renhowe, PA; Ramurthy, S; Wagman, AS; Bussiere, DE; Le, V; Zhou, Y; Jansen, JM; Ma, S; Gesner, TG 4-(Aminoalkylamino)-3-benzimidazole-quinolinones as potent CHK-1 inhibitors. Bioorg Med Chem Lett 16:3121-4 (2006) [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:
BDBM50185221
Synonyms:
(S)-3-(1H-benzo[d]imidazol-2-yl)-6-methyl-4-(quinuclidin-3-ylamino)quinolin-2(1H)-one | CHEMBL378967
Type:
Small organic molecule
Emp. Form.:
C24H25N5O
Mol. Mass.:
399.4882
SMILES:
Cc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@@H]3CN4CCC3CC4)c2c1 |wU:20.21,TLB:19:20:24.23:26.27,(17.38,-9.04,;18.71,-9.81,;18.71,-11.36,;20.04,-12.13,;21.38,-11.36,;22.72,-12.13,;24.06,-11.35,;25.39,-12.12,;24.05,-9.8,;25.38,-9.02,;26.79,-9.65,;27.81,-8.51,;29.35,-8.51,;30.13,-7.17,;29.34,-5.83,;27.8,-5.84,;27.04,-7.17,;25.54,-7.5,;22.7,-9.02,;22.7,-7.48,;21.75,-6.27,;21.47,-4.88,;20.12,-4.28,;18.65,-4.92,;18.85,-6.3,;20.38,-5.64,;20.64,-3.75,;20.19,-2.64,;21.37,-9.81,;20.04,-9.04,)|
Structure:
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