new BindingDB logo
myBDB logout

BDBM50028375 CHEMBL28820::CHEMBL3143872::Phosphoric acid mono-[5-(5-hex-1-ynyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl] ester

SMILES: CCCCC#Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O

InChI Key: InChIKey=GQWHVTJRYQMQQT-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50028375   
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
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50028375
PNG
(CHEMBL28820 | CHEMBL3143872 | Phosphoric acid mono...)
Show SMILES CCCCC#Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C15H21N2O8P/c1-2-3-4-5-6-10-8-17(15(20)16-14(10)19)13-7-11(18)12(25-13)9-24-26(21,22)23/h8,11-13,18H,2-4,7,9H2,1H3,(H,16,19,20)(H2,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of dTMP synthetase from Lactobacillus casei


J Med Chem 24: 1385-8 (1982)


BindingDB Entry DOI: 10.7270/Q2MS3RSP
More data for this
Ligand-Target Pair