Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50335675
Substrate
n/a
Meas. Tech.
ChEMBL_714872 (CHEMBL1663818)
IC50
850±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:
BDBM50335675
Synonyms:
(S)-2-(7-(2-methoxyethoxy)-4-(pyrrolidin-3-ylamino)quinazolin-2-yl)phenol | CHEMBL1650121
Type:
Small organic molecule
Emp. Form.:
C21H24N4O3
Mol. Mass.:
380.4403
SMILES:
COCCOc1ccc2c(N[C@H]3CCNC3)nc(nc2c1)-c1ccccc1O |r|
Structure:
Search PDB for entries with ligand similarity: