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BDBM50440153 CHEMBL2426460

InChI string: InChI=1S/C16H16FN5S2/c1-2-12-11(8-23-16-21-13(18)7-14(19)22-16)20-15(24-12)9-3-5-10(17)6-4-9/h3-7H,2,8H2,1H3,(H4,18,19,21,22)

SMILES: CCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(F)cc1

InChI Key: InChIKey=DJZCMFDRMBCUHE-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 = 50440153   
Target
(Institution)
LigandTarget
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)
BDBM50440153
PNG
(CHEMBL2426460)
Show SMILES CCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C16H16FN5S2/c1-2-12-11(8-23-16-21-13(18)7-14(19)22-16)20-15(24-12)9-3-5-10(17)6-4-9/h3-7H,2,8H2,1H3,(H4,18,19,21,22)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 83n/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)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Mus musculus)
BDBM50440153
PNG
(CHEMBL2426460)
Show SMILES CCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C16H16FN5S2/c1-2-12-11(8-23-16-21-13(18)7-14(19)22-16)20-15(24-12)9-3-5-10(17)6-4-9/h3-7H,2,8H2,1H3,(H4,18,19,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 265n/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)

More data for this
Ligand-Target Pair