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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Deoxycytidine kinase' and Ligand = 'BDBM50440161'   
Target
(Institution)
LigandTarget
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)
BDBM50440161
PNG
(CHEMBL2426592)
Show SMILES COc1cc(ccc1OCCF)-c1nc(CSc2nc(N)nc(N)n2)cs1
Show InChI InChI=1S/C16H17FN6O2S2/c1-24-12-6-9(2-3-11(12)25-5-4-17)13-20-10(7-26-13)8-27-16-22-14(18)21-15(19)23-16/h2-3,6-7H,4-5,8H2,1H3,(H4,18,19,21,22,23)
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MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 534n/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)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Mus musculus)
BDBM50440161
PNG
(CHEMBL2426592)
Show SMILES COc1cc(ccc1OCCF)-c1nc(CSc2nc(N)nc(N)n2)cs1
Show InChI InChI=1S/C16H17FN6O2S2/c1-24-12-6-9(2-3-11(12)25-5-4-17)13-20-10(7-26-13)8-27-16-22-14(18)21-15(19)23-16/h2-3,6-7H,4-5,8H2,1H3,(H4,18,19,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.61E+3n/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)

More data for this
Ligand-Target Pair