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BDBM50330396 1-((3-(l-Prolinol)-1-yl)-propyl)uracil::CHEMBL1275701

SMILES: OC[C@@H]1CCCN1CCCn1ccc(=O)[nH]c1=O

InChI Key: InChIKey=VGGAVTOTHPGQGN-JTQLQIEISA-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 = 50330396   
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)
BDBM50330396
PNG
(1-((3-(l-Prolinol)-1-yl)-propyl)uracil | CHEMBL127...)
Show SMILES OC[C@@H]1CCCN1CCCn1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H19N3O3/c16-9-10-3-1-5-14(10)6-2-7-15-8-4-11(17)13-12(15)18/h4,8,10,16H,1-3,5-7,9H2,(H,13,17,18)/t10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.36E+5n/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)
BDBM50330396
PNG
(1-((3-(l-Prolinol)-1-yl)-propyl)uracil | CHEMBL127...)
Show SMILES OC[C@@H]1CCCN1CCCn1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H19N3O3/c16-9-10-3-1-5-14(10)6-2-7-15-8-4-11(17)13-12(15)18/h4,8,10,16H,1-3,5-7,9H2,(H,13,17,18)/t10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.12E+5n/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