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Target
Serine/threonine-protein kinase Chk2
Ligand
BDBM50359819
Substrate
n/a
Meas. Tech.
ChEMBL_791991 (CHEMBL1930051)
IC50
12000±n/a nM
Citation
 Reader, JC; Matthews, TP; Klair, S; Cheung, KM; Scanlon, J; Proisy, N; Addison, G; Ellard, J; Piton, N; Taylor, S; Cherry, M; Fisher, M; Boxall, K; Burns, S; Walton, MI; Westwood, IM; Hayes, A; Eve, P; Valenti, M; de Haven Brandon, A; Box, G; van Montfort, RL; Williams, DH; Aherne, GW; Raynaud, FI; Eccles, SA; Garrett, MD; Collins, I Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing. J Med Chem 54:8328-42 (2011) [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:
BDBM50359819
Synonyms:
CHEMBL1928692
Type:
Small organic molecule
Emp. Form.:
C18H21N7O2
Mol. Mass.:
367.405
SMILES:
COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCNCC1
Structure:
Search PDB for entries with ligand similarity: