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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Deoxycytidine kinase' and Ligand = 'BDBM50440157'   
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))
BDBM50440157
PNG
(CHEMBL2426596)
Show SMILES COc1ccc(cc1OCCCF)-c1nc(CSc2nc(N)nc(N)n2)cs1
Show InChI InChI=1S/C17H19FN6O2S2/c1-25-12-4-3-10(7-13(12)26-6-2-5-18)14-21-11(8-27-14)9-28-17-23-15(19)22-16(20)24-17/h3-4,7-8H,2,5-6,9H2,1H3,(H4,19,20,22,23,24)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 297n/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)
BDBM50440157
PNG
(CHEMBL2426596)
Show SMILES COc1ccc(cc1OCCCF)-c1nc(CSc2nc(N)nc(N)n2)cs1
Show InChI InChI=1S/C17H19FN6O2S2/c1-25-12-4-3-10(7-13(12)26-6-2-5-18)14-21-11(8-27-14)9-28-17-23-15(19)22-16(20)24-17/h3-4,7-8H,2,5-6,9H2,1H3,(H4,19,20,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 603n/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