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-RRKCRQDMSA-N
Data: 2 IC50
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50311540 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Deoxycytidine kinase
(Homo sapiens (Human)) | BDBM50311540
(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=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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Deoxycytidine kinase
(Homo sapiens (Human)) | BDBM50311540
(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=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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |