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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Deoxycytidine kinase' and Ligand = 'BDBM50311541'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311541
PNG
(2-(6-(benzo[b]thiophen-2-yl)pyrimidin-4-yloxy)-5-f...)
Show SMILES Nc1nc(Oc2cc(ncn2)-c2cc3ccccc3s2)ncc1F
Show InChI InChI=1S/C16H10FN5OS/c17-10-7-19-16(22-15(10)18)23-14-6-11(20-8-21-14)13-5-9-3-1-2-4-12(9)24-13/h1-8H,(H2,18,19,22)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 720n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311541
PNG
(2-(6-(benzo[b]thiophen-2-yl)pyrimidin-4-yloxy)-5-f...)
Show SMILES Nc1nc(Oc2cc(ncn2)-c2cc3ccccc3s2)ncc1F
Show InChI InChI=1S/C16H10FN5OS/c17-10-7-19-16(22-15(10)18)23-14-6-11(20-8-21-14)13-5-9-3-1-2-4-12(9)24-13/h1-8H,(H2,18,19,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.30E+4n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM assessed as inhibition of Ara-C phosohorylation


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair