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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidine kinase, cytosolic' and Ligand = 'BDBM50013116'   
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
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50013116
PNG
(Benzoic acid 5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin...)
Show SMILES O=C(OC[C@@H]1CC[C@@H](O1)n1ccc(=O)[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C16H16N2O5/c19-13-8-9-18(16(21)17-13)14-7-6-12(23-14)10-22-15(20)11-4-2-1-3-5-11/h1-5,8-9,12,14H,6-7,10H2,(H,17,19,21)/t12-,14+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.75E+5n/an/an/an/an/an/an/an/a



Michigan Cancer Foundation

Curated by ChEMBL


Assay Description
Inhibitory affect against rabbit deoxycytidine kinase


J Med Chem 33: 258-63 (1990)


Article DOI: 10.1021/jm00163a043
BindingDB Entry DOI: 10.7270/Q2P26ZQS
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50013116
PNG
(Benzoic acid 5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin...)
Show SMILES O=C(OC[C@@H]1CC[C@@H](O1)n1ccc(=O)[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C16H16N2O5/c19-13-8-9-18(16(21)17-13)14-7-6-12(23-14)10-22-15(20)11-4-2-1-3-5-11/h1-5,8-9,12,14H,6-7,10H2,(H,17,19,21)/t12-,14+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/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)


Article DOI: 10.1021/jm00163a043
BindingDB Entry DOI: 10.7270/Q2P26ZQS
More data for this
Ligand-Target Pair