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BDBM50440164 CHEMBL2426589

SMILES: Cc1sc(nc1CSc1nc(N)cc(N)n1)-c1cc(F)cc(F)c1

InChI Key: InChIKey=VGNDHAUFLCEVQG-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50440164   
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))
BDBM50440164
PNG
(CHEMBL2426589)
Show SMILES Cc1sc(nc1CSc1nc(N)cc(N)n1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C15H13F2N5S2/c1-7-11(6-23-15-21-12(18)5-13(19)22-15)20-14(24-7)8-2-9(16)4-10(17)3-8/h2-5H,6H2,1H3,(H4,18,19,21,22)
PDB
MMDB

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/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)
BDBM50440164
PNG
(CHEMBL2426589)
Show SMILES Cc1sc(nc1CSc1nc(N)cc(N)n1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C15H13F2N5S2/c1-7-11(6-23-15-21-12(18)5-13(19)22-15)20-14(24-7)8-2-9(16)4-10(17)3-8/h2-5H,6H2,1H3,(H4,18,19,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 595n/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