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BDBM50440183 CHEMBL2426563

SMILES: CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(F)c(OCCO)c1

InChI Key: InChIKey=OLBQEGMSSCLFCD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50440183   
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))
BDBM50440183
PNG
(CHEMBL2426563)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(F)c(OCCO)c1
Show InChI InChI=1S/C19H22FN5O2S2/c1-2-3-15-13(10-28-19-24-16(21)9-17(22)25-19)23-18(29-15)11-4-5-12(20)14(8-11)27-7-6-26/h4-5,8-9,26H,2-3,6-7,10H2,1H3,(H4,21,22,24,25)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/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