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Target
Deoxycytidine kinase
Ligand
BDBM50311539
Substrate
n/a
Meas. Tech.
ChEMBL_618630 (CHEMBL1101518)
IC50
510±n/a nM
Citation
 Jessop, TC; Tarver, JE; Carlsen, M; Xu, A; Healy, JP; Heim-Riether, A; Fu, Q; Taylor, JA; Augeri, DJ; Shen, M; Stouch, TR; Swanson, RV; Tari, LW; Hunter, M; Hoffman, I; Keyes, PE; Yu, XC; Miranda, M; Liu, Q; Swaffield, JC; David Kimball, S; Nouraldeen, A; Wilson, AG; Foushee, AM; Jhaver, K; Finch, R; Anderson, S; Oravecz, T; Carson, KG Lead optimization and structure-based design of potent and bioavailable deoxycytidine kinase inhibitors. Bioorg Med Chem Lett 19:6784-7 (2009) [PubMed]  Article 
Target
Name:
Deoxycytidine kinase
Synonyms:
DCK | DCK_HUMAN
Type:
PROTEIN
Mol. Mass.:
30510.65
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1437135
Residue:
260
Sequence:
MATPPKRSCPSFSASSEGTRIKKISIEGNIAAGKSTFVNILKQLCEDWEVVPEPVARWCNVQSTQDEFEELTMSQKNGGNVLQMMYEKPERWSFTFQTYACLSRIRAQLASLNGKLKDAEKPVLFFERSVYSDRYIFASNLYESECMNETEWTIYQDWHDWMNNQFGQSLELDGIIYLQATPETCLHRIYLRGRNEEQGIPLEYLEKLHYKHESWLLHRTLKTNFDYLQEVPILTLDVNEDFKDKYESLVEKVKEFLSTL
  
Inhibitor
Name:
BDBM50311539
Synonyms:
2-(4-(6-(benzo[b]thiophen-2-yl)pyrimidin-4-yl)piperazin-1-yl)-1-(pyrrolidin-1-yl)ethanone | 4-(1-benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine | CHEMBL1081559
Type:
Small organic molecule
Emp. Form.:
C22H25N5OS
Mol. Mass.:
407.532
SMILES:
O=C(CN1CCN(CC1)c1cc(ncn1)-c1cc2ccccc2s1)N1CCCC1
Structure:
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