BindingDB logo
myBDB logout

BDBM50190544 1-((2R,4S,5R)-4-fluoro-5-(trityloxymethyl)-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione::2,3-DEOXY-3-FLUORO-5-O-TRITYLURIDINE::CHEMBL209720

SMILES: F[C@H]1C[C@@H](O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O

InChI Key: InChIKey=GJNIPWYJQUGERM-BFLUCZKCSA-N

Data: 3 KI

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50190544   
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)
BDBM50190544
PNG
(1-((2R,4S,5R)-4-fluoro-5-(trityloxymethyl)-tetrahy...)
Show SMILES F[C@H]1C[C@@H](O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C28H25FN2O4/c29-23-18-26(31-17-16-25(32)30-27(31)33)35-24(23)19-34-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26H,18-19H2,(H,30,32,33)/t23-,24+,26+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
MMDB
PDB
Article
PubMed
5.00E+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
3D
3D Structure (crystal)
Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase)


(Homo sapiens (Human))
BDBM50190544
PNG
(1-((2R,4S,5R)-4-fluoro-5-(trityloxymethyl)-tetrahy...)
Show SMILES F[C@H]1C[C@@H](O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C28H25FN2O4/c29-23-18-26(31-17-16-25(32)30-27(31)33)35-24(23)19-34-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26H,18-19H2,(H,30,32,33)/t23-,24+,26+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
4.57E+5n/an/an/an/an/an/an/an/a



Instituto de Parasitolog£a y Biomedicina L£pez-Neyra

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase using dUTP as substrate by spectrophotometric analysis


Eur J Med Chem 46: 3309-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.052
BindingDB Entry DOI: 10.7270/Q27S7Q1H
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase)


(Homo sapiens (Human))
BDBM50190544
PNG
(1-((2R,4S,5R)-4-fluoro-5-(trityloxymethyl)-tetrahy...)
Show SMILES F[C@H]1C[C@@H](O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C28H25FN2O4/c29-23-18-26(31-17-16-25(32)30-27(31)33)35-24(23)19-34-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26H,18-19H2,(H,30,32,33)/t23-,24+,26+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
4.57E+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