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BDBM50190558 1-(6-trityloxyhexyl)uracil::CHEMBL378414

SMILES: O=c1ccn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1

InChI Key: InChIKey=XIWRWDUOHQYCAE-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50190558   
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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190558
PNG
(1-(6-trityloxyhexyl)uracil | CHEMBL378414)
Show SMILES O=c1ccn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C29H30N2O3/c32-27-20-22-31(28(33)30-27)21-12-1-2-13-23-34-29(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-11,14-20,22H,1-2,12-13,21,23H2,(H,30,32,33)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.30E+3n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum dUTPase


J Med Chem 49: 4183-95 (2006)


Article DOI: 10.1021/jm060126s
BindingDB Entry DOI: 10.7270/Q22J6BF0
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase)


(Homo sapiens (Human))
BDBM50190558
PNG
(1-(6-trityloxyhexyl)uracil | CHEMBL378414)
Show SMILES O=c1ccn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C29H30N2O3/c32-27-20-22-31(28(33)30-27)21-12-1-2-13-23-34-29(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-11,14-20,22H,1-2,12-13,21,23H2,(H,30,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.76E+5n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dUTPase


J Med Chem 49: 4183-95 (2006)


Article DOI: 10.1021/jm060126s
BindingDB Entry DOI: 10.7270/Q22J6BF0
More data for this
Ligand-Target Pair