new BindingDB logo
myBDB logout

BDBM50440154 CHEMBL2426459

SMILES: CCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cc(F)cc(F)c1

InChI Key: InChIKey=HGTYIESKNDANJV-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 = 50440154   
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))
BDBM50440154
PNG
(CHEMBL2426459)
Show SMILES CCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C16H15F2N5S2/c1-2-12-11(7-24-16-22-13(19)6-14(20)23-16)21-15(25-12)8-3-9(17)5-10(18)4-8/h3-6H,2,7H2,1H3,(H4,19,20,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 162n/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)
BDBM50440154
PNG
(CHEMBL2426459)
Show SMILES CCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C16H15F2N5S2/c1-2-12-11(7-24-16-22-13(19)6-14(20)23-16)21-15(25-12)8-3-9(17)5-10(18)4-8/h3-6H,2,7H2,1H3,(H4,19,20,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 620n/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