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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Deoxycytidine kinase' and Ligand = 'BDBM50311608'   
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))
BDBM50311608
PNG
(CHEMBL1079784 | N-((1S,3S)-3-(4-amino-5-fluoro-2-o...)
Show SMILES Cc1cc(Cl)ccc1-c1cccc(c1)C(=O)N[C@H]1CC[C@@H](C1)n1cc(F)c(N)nc1=O |r|
Show InChI InChI=1S/C23H22ClFN4O2/c1-13-9-16(24)5-8-19(13)14-3-2-4-15(10-14)22(30)27-17-6-7-18(11-17)29-12-20(25)21(26)28-23(29)31/h2-5,8-10,12,17-18H,6-7,11H2,1H3,(H,27,30)(H2,26,28,31)/t17-,18-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human deoxycytidine kinase by lysate filter binding assay


Bioorg Med Chem Lett 19: 6784-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.081
BindingDB Entry DOI: 10.7270/Q2CV4HVK
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311608
PNG
(CHEMBL1079784 | N-((1S,3S)-3-(4-amino-5-fluoro-2-o...)
Show SMILES Cc1cc(Cl)ccc1-c1cccc(c1)C(=O)N[C@H]1CC[C@@H](C1)n1cc(F)c(N)nc1=O |r|
Show InChI InChI=1S/C23H22ClFN4O2/c1-13-9-16(24)5-8-19(13)14-3-2-4-15(10-14)22(30)27-17-6-7-18(11-17)29-12-20(25)21(26)28-23(29)31/h2-5,8-10,12,17-18H,6-7,11H2,1H3,(H,27,30)(H2,26,28,31)/t17-,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 170n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of deoxycytidine kinase-mediated arabinoside C-induced cytotoxicity


Bioorg Med Chem Lett 19: 6784-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.081
BindingDB Entry DOI: 10.7270/Q2CV4HVK
More data for this
Ligand-Target Pair