Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50379749
Substrate
n/a
Meas. Tech.
ChEMBL_812462 (CHEMBL2014248)
IC50
113±n/a nM
Citation
 Dudkin, VY; Rickert, K; Kreatsoulas, C; Wang, C; Arrington, KL; Fraley, ME; Hartman, GD; Yan, Y; Ikuta, M; Stirdivant, SM; Drakas, RA; Walsh, ES; Hamilton, K; Buser, CA; Lobell, RB; Sepp-Lorenzino, L Pyridyl aminothiazoles as potent inhibitors of Chk1 with slow dissociation rates. Bioorg Med Chem Lett 22:2609-12 (2012) [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:
BDBM50379749
Synonyms:
CHEMBL2011332
Type:
Small organic molecule
Emp. Form.:
C19H22N6O2S2
Mol. Mass.:
430.547
SMILES:
Cc1ccc(cn1)-c1cnc(Nc2cc(ccn2)N2CCN(CC2)S(C)(=O)=O)s1
Structure:
Search PDB for entries with ligand similarity: