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Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50243665
Substrate
n/a
Meas. Tech.
ChEMBL_491561 (CHEMBL944207)
IC50
980±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:
BDBM50243665
Synonyms:
(R)-1-(5-phenyl-3-(quinuclidin-8-ylcarbamoyl)thiophen-2-yl)urea | CHEMBL512706
Type:
Small organic molecule
Emp. Form.:
C19H22N4O2S
Mol. Mass.:
370.469
SMILES:
NC(=O)Nc1sc(cc1C(=O)N[C@H]1CN2CCC1CC2)-c1ccccc1 |r,wU:12.12,TLB:11:12:16.15:18.19,(19.15,-4.42,;17.82,-3.65,;17.83,-2.11,;16.48,-4.42,;15.16,-3.65,;13.92,-4.55,;12.67,-3.65,;13.15,-2.18,;14.69,-2.18,;15.44,-.84,;16.98,-.82,;14.65,.48,;15.31,1.88,;14.59,2.71,;16.2,2.41,;16.49,.96,;17.79,.37,;17.48,1.85,;18.46,3.2,;17.16,3.7,;11.33,-4.41,;10.01,-3.62,;8.67,-4.38,;8.66,-5.92,;10,-6.7,;11.33,-5.94,)|
Structure:
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