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Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50335683
Substrate
n/a
Meas. Tech.
ChEMBL_714872 (CHEMBL1663818)
IC50
105±n/a nM
Citation
 Caldwell, JJ; Welsh, EJ; Matijssen, C; Anderson, VE; Antoni, L; Boxall, K; Urban, F; Hayes, A; Raynaud, FI; Rigoreau, LJ; Raynham, T; Aherne, GW; Pearl, LH; Oliver, AW; Garrett, MD; Collins, I Structure-based design of potent and selective 2-(quinazolin-2-yl)phenol inhibitors of checkpoint kinase 2. J Med Chem 54:580-90 (2011) [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:
BDBM50335683
Synonyms:
4-fluoro-2-(4-((3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3-ylamino)-6-methoxy-7-(2-methoxyethoxy)quinazolin-2-yl)phenol | CHEMBL1650128
Type:
Small organic molecule
Emp. Form.:
C25H31FN4O5
Mol. Mass.:
486.5358
SMILES:
COCCOc1cc2nc(nc(N[C@@H]3CNC[C@H]3C(C)(C)O)c2cc1OC)-c1cc(F)ccc1O |r|
Structure:
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