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2 similar compounds to monomer 50007156

Compile data set for download or QSAR
Wt: 245.2
BDBM50311540
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Wt: 239.2
BDBM50421893

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50311540,50421893   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytidine deaminase (CDA)


(Homo sapiens (Human))
BDBM50421893
PNG
(CHEMBL10128)
Show SMILES Nc1ccn(C2O[C@H](CO)[C@H](O)C2=C)c(=O)n1
Show InChI InChI=1S/C10H13N3O4/c1-5-8(15)6(4-14)17-9(5)13-3-2-7(11)12-10(13)16/h2-3,6,8-9,14-15H,1,4H2,(H2,11,12,16)/t6-,8-,9?/m1/s1
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PC cid
PC sid
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Article
PubMed
7.69E+6n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibitory constant was measured on cytidine/deoxycytidine deaminase


J Med Chem 34: 2607-15 (1991)


Article DOI: 10.1021/jm00112a040
BindingDB Entry DOI: 10.7270/Q23F4Q8T
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311540
PNG
(2'-deoxy-5-fluorocytidine | 4-amino-5-fluoro-1-((2...)
Show SMILES Nc1nc(=O)n(cc1F)[C@H]1C[C@H](O)[C@@H](CO)O1
Show InChI InChI=1S/C9H12FN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1
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Article
PubMed
n/an/a 1.20E+5n/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
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311540
PNG
(2'-deoxy-5-fluorocytidine | 4-amino-5-fluoro-1-((2...)
Show SMILES Nc1nc(=O)n(cc1F)[C@H]1C[C@H](O)[C@@H](CO)O1
Show InChI InChI=1S/C9H12FN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1
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Article
PubMed
n/an/a>4.00E+3n/an/an/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
3D
3D Structure (crystal)