Reaction Details  Report a problem with these data
Target
Serine/threonine-protein kinase Chk2
Ligand
BDBM50292370
Substrate
n/a
Meas. Tech.
ChEMBL_1732641 (CHEMBL4148177)
IC50
46±n/a nM
Citation
 Galal, SA; Khattab, M; Shouman, SA; Ramadan, R; Kandil, OM; Kandil, OM; Tabll, A; El Abd, YS; El-Shenawy, R; Attia, YM; El-Rashedy, AA; El Diwani, HI Part III: Novel checkpoint kinase 2 (Chk2) inhibitors; design, synthesis and biological evaluation of pyrimidine-benzimidazole conjugates. Eur J Med Chem 146:687-708 (2018) [PubMed]  Article
Target
Name:
Serine/threonine-protein kinase Chk2
Synonyms:
CDS1 | CHEK2 | CHK2 | CHK2_HUMAN | Checkpoint Kinase (Chk2) | RAD53 | Serine/threonine-protein kinase Chek2 | Serine/threonine-protein kinase Chk1/2
Type:
Protein
Mol. Mass.:
60908.59
Organism:
Homo sapiens (Human)
Description:
O96017
Residue:
543
Sequence:
MSRESDVEAQQSHGSSACSQPHGSVTQSQGSSSQSQGISSSSTSTMPNSSQSSHSSSGTLSSLETVSTQELYSIPEDQEPEDQEPEEPTPAPWARLWALQDGFANLECVNDNYWFGRDKSCEYCFDEPLLKRTDKYRTYSKKHFRIFREVGPKNSYIAYIEDHSGNGTFVNTELVGKGKRRPLNNNSEIALSLSRNKVFVFFDLTVDDQSVYPKALRDEYIMSKTLGSGACGEVKLAFERKTCKKVAIKIISKRKFAIGSAREADPALNVETEIEILKKLNHPCIIKIKNFFDAEDYYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILGETSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDEDMKRKFQDLLSEENESTALPQVLAQPSTSRKRPREGEAEGAETTKRPAVCAAVL
  
Inhibitor
Name:
BDBM50292370
Synonyms:
CHEMBL4170989
Type:
Small organic molecule
Emp. Form.:
C25H15ClN6OS2
Mol. Mass.:
515.009
SMILES:
NC(=O)c1ccc2[nH]c(nc2c1)-c1ccc(Sc2nc(S)nc(-c3ccc(Cl)cc3)c2C#N)cc1
Structure:
Search PDB for entries with ligand similarity: