BDBM50173550 1-(4-Fluoro-5-trityloxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione::CHEMBL197951

SMILES: FC1CC(OC1COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O

InChI Key: InChIKey=GJNIPWYJQUGERM-UHFFFAOYSA-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 = 50173550   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
dUTP pyrophosphatase (Plasmodium falciparum)	BDBM50173550 (1-(4-Fluoro-5-trityloxymethyl-tetrahydro-furan-2-y...) Show SMILES FC1CC(OC1COC(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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory constant against Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase expressed in Escherichia coli BL21 (DE3) cells				J Med Chem 48: 5942-54 (2005) Article DOI: 10.1021/jm050111e BindingDB Entry DOI: 10.7270/Q2Z320DG
					More data for this Ligand-Target Pair				3D Structure (crystal)
dUTP pyrophosphatase (Leishmania major)	BDBM50173550 (1-(4-Fluoro-5-trityloxymethyl-tetrahydro-furan-2-y...) Show SMILES FC1CC(OC1COC(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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.77E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory constant against Leishmania major deoxyuridine 5'-triphosphate nucleotidohydrolase				J Med Chem 48: 5942-54 (2005) Article DOI: 10.1021/jm050111e BindingDB Entry DOI: 10.7270/Q2Z320DG
					More data for this Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase) (Homo sapiens (Human))	BDBM50173550 (1-(4-Fluoro-5-trityloxymethyl-tetrahydro-furan-2-y...) Show SMILES FC1CC(OC1COC(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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.57E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory constant against human deoxyuridine 5'-triphosphate nucleotidohydrolase expressed in Escherichia coli BL21 (DE3) cells				J Med Chem 48: 5942-54 (2005) Article DOI: 10.1021/jm050111e BindingDB Entry DOI: 10.7270/Q2Z320DG
					More data for this Ligand-Target Pair