Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50313013
Substrate
n/a
Meas. Tech.
ChEMBL_1672672 (CHEMBL4022701)
IC50
>10000±n/a nM
Citation
 Wagman, AS; Boyce, RS; Brown, SP; Fang, E; Goff, D; Jansen, JM; Le, VP; Levine, BH; Ng, SC; Ni, ZJ; Nuss, JM; Pfister, KB; Ramurthy, S; Renhowe, PA; Ring, DB; Shu, W; Subramanian, S; Zhou, XA; Shafer, CM; Harrison, SD; Johnson, KW; Bussiere, DE Synthesis, Binding Mode, and Antihyperglycemic Activity of Potent and Selective (5-Imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine Inhibitors of Glycogen Synthase Kinase 3. J Med Chem 60:8482-8514 (2017) [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:
BDBM50313013
Synonyms:
CHEMBL1080901 | CT-98024 | N2-(2-(4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-ylamino)ethyl)-5-nitropyridine-2,6-diamine
Type:
Small organic molecule
Emp. Form.:
C20H17Cl2N9O2
Mol. Mass.:
486.314
SMILES:
Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(n2)-c2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: