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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Deoxycytidine kinase' and Ligand = 'BDBM50311571'   
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))
BDBM50311571
PNG
(2-(6-(4-(4-amino-2-oxopyrimidin-1(2H)-yloxy)piperi...)
Show SMILES Nc1ccn(OC2CCN(CC2)c2ncnc(Oc3ccccc3C#N)c2F)c(=O)n1
Show InChI InChI=1S/C20H18FN7O3/c21-17-18(24-12-25-19(17)30-15-4-2-1-3-13(15)11-22)27-8-5-14(6-9-27)31-28-10-7-16(23)26-20(28)29/h1-4,7,10,12,14H,5-6,8-9H2,(H2,23,26,29)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63n/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))
BDBM50311571
PNG
(2-(6-(4-(4-amino-2-oxopyrimidin-1(2H)-yloxy)piperi...)
Show SMILES Nc1ccn(OC2CCN(CC2)c2ncnc(Oc3ccccc3C#N)c2F)c(=O)n1
Show InChI InChI=1S/C20H18FN7O3/c21-17-18(24-12-25-19(17)30-15-4-2-1-3-13(15)11-22)27-8-5-14(6-9-27)31-28-10-7-16(23)26-20(28)29/h1-4,7,10,12,14H,5-6,8-9H2,(H2,23,26,29)
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 350n/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