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BDBM50330388 3-((2-Pyrrolidine-1-yl)-ethyl)uracil::CHEMBL1275720

SMILES: O=c1cc[nH]c(=O)n1CCN1CCCC1

InChI Key: InChIKey=XKWFMZHWDROEIH-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 = 50330388   
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
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50330388
PNG
(3-((2-Pyrrolidine-1-yl)-ethyl)uracil | CHEMBL12757...)
Show SMILES O=c1cc[nH]c(=O)n1CCN1CCCC1
Show InChI InChI=1S/C10H15N3O2/c14-9-3-4-11-10(15)13(9)8-7-12-5-1-2-6-12/h3-4H,1-2,5-8H2,(H,11,15)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.00E+3n/an/an/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


Eur J Med Chem 45: 5140-9 (2010)


Article DOI: 10.1016/j.ejmech.2010.08.026
BindingDB Entry DOI: 10.7270/Q24J0FB7
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50330388
PNG
(3-((2-Pyrrolidine-1-yl)-ethyl)uracil | CHEMBL12757...)
Show SMILES O=c1cc[nH]c(=O)n1CCN1CCCC1
Show InChI InChI=1S/C10H15N3O2/c14-9-3-4-11-10(15)13(9)8-7-12-5-1-2-6-12/h3-4H,1-2,5-8H2,(H,11,15)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


Eur J Med Chem 45: 5140-9 (2010)


Article DOI: 10.1016/j.ejmech.2010.08.026
BindingDB Entry DOI: 10.7270/Q24J0FB7
More data for this
Ligand-Target Pair