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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Deoxycytidine kinase' and Ligand = 'BDBM50145605'   
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))
BDBM50145605
PNG
(4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...)
Show SMILES Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 |r|
Show InChI InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1
PDB
MMDB

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KEGG

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CHEMBL
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MCE
KEGG
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PC cid
PC sid
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Similars

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PubMed
3.60E+5n/an/an/an/an/an/an/an/a



Michigan Cancer Foundation

Curated by ChEMBL


Assay Description
Inhibitory affect against rabbit thymus thymidine kinase and represented as molt/4F kinase.


J Med Chem 33: 258-63 (1990)


BindingDB Entry DOI: 10.7270/Q2P26ZQS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50145605
PNG
(4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...)
Show SMILES Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 |r|
Show InChI InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
UniChem

Patents


Similars

DrugBank
PubMed
1.00E+6n/an/an/an/an/an/an/an/a



Michigan Cancer Foundation

Curated by ChEMBL


Assay Description
Inhibitory affect against rabbit deoxycytidine kinase and represented as molt/4F kinase in two references.


J Med Chem 33: 258-63 (1990)


BindingDB Entry DOI: 10.7270/Q2P26ZQS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)