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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Deoxycytidine kinase' and Ligand = 'BDBM50440150'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440150
PNG
(CHEMBL2426559)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C17H17F2N5S2/c1-2-3-13-12(8-25-17-23-14(20)7-15(21)24-17)22-16(26-13)9-4-10(18)6-11(19)5-9/h4-7H,2-3,8H2,1H3,(H4,20,21,23,24)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 173n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Mus musculus)
BDBM50440150
PNG
(CHEMBL2426559)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C17H17F2N5S2/c1-2-3-13-12(8-25-17-23-14(20)7-15(21)24-17)22-16(26-13)9-4-10(18)6-11(19)5-9/h4-7H,2-3,8H2,1H3,(H4,20,21,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 385n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in mouse L1210 cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair