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BDBM50440180 CHEMBL2426566

SMILES: CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cc(F)cc(OCCNS(C)(=O)=O)c1

InChI Key: InChIKey=VZMDEJBFLZUPFK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50440180   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440180
PNG
(CHEMBL2426566)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cc(F)cc(OCCNS(C)(=O)=O)c1
Show InChI InChI=1S/C20H25FN6O3S3/c1-3-4-16-15(11-31-20-26-17(22)10-18(23)27-20)25-19(32-16)12-7-13(21)9-14(8-12)30-6-5-24-33(2,28)29/h7-10,24H,3-6,11H2,1-2H3,(H4,22,23,26,27)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 8n/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