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BDBM50311540 2'-deoxy-5-fluorocytidine::4-amino-5-fluoro-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one::CHEMBL1076257

SMILES: Nc1nc(=O)n(cc1F)[C@H]1C[C@H](O)[C@@H](CO)O1

InChI Key: InChIKey=IDYKCXHJJGMAEV-YUZWJPFSNA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50311540   
Target
(Institution)
LigandTarget
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
Deoxycytidine kinase


(Homo sapiens)
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 |r|
Show InChI InChI=1/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+/s2
PDB
MMDB

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PC sid
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AffyNet 
PDB
Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
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 |r|
Show InChI InChI=1/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+/s2
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)