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Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50243664
Substrate
n/a
Meas. Tech.
ChEMBL_491561 (CHEMBL944207)
IC50
130±n/a nM
Citation
 Janetka, JW; Almeida, L; Ashwell, S; Brassil, PJ; Daly, K; Deng, C; Gero, T; Glynn, RE; Horn, CL; Ioannidis, S; Lyne, P; Newcombe, NJ; Oza, VB; Pass, M; Springer, SK; Su, M; Toader, D; Vasbinder, MM; Yu, D; Yu, Y; Zabludoff, SD Discovery of a novel class of 2-ureido thiophene carboxamide checkpoint kinase inhibitors. Bioorg Med Chem Lett 18:4242-8 (2008) [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:
BDBM50243664
Synonyms:
(S)-1-(5-phenyl-3-(quinuclidin-8-ylcarbamoyl)thiophen-2-yl)urea | CHEMBL471548
Type:
Small organic molecule
Emp. Form.:
C19H22N4O2S
Mol. Mass.:
370.469
SMILES:
NC(=O)Nc1sc(cc1C(=O)N[C@@H]1CN2CCC1CC2)-c1ccccc1 |r,wD:12.12,TLB:11:12:16.15:18.19,(-.7,-3.12,;-2.03,-2.35,;-2.02,-.81,;-3.36,-3.12,;-4.69,-2.35,;-5.93,-3.25,;-7.18,-2.35,;-6.7,-.88,;-5.16,-.88,;-4.41,.46,;-2.87,.48,;-5.2,1.79,;-4.54,3.18,;-5.26,4.01,;-3.65,3.71,;-3.36,2.26,;-2.06,1.67,;-2.37,3.15,;-1.39,4.5,;-2.69,5,;-8.52,-3.11,;-9.84,-2.32,;-11.18,-3.08,;-11.19,-4.62,;-9.85,-5.4,;-8.52,-4.64,)|
Structure:
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