BDBM50026387 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE::5-Benzyl-1-(2-hydroxy-ethoxymethyl)-1H-pyrimidine-2,4-dione::CHEMBL17432

SMILES: OCCOCn1cc(Cc2ccccc2)c(=O)[nH]c1=O

InChI Key: InChIKey=SPJAGILXQBHHSZ-UHFFFAOYSA-N

Data: 1 IC50  4 Kd

PDB links: 4 PDB IDs match 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 5 hits for monomerid = 50026387   

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
Uridine phosphorylase 1 (Mus musculus)	BDBM50026387 (1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4...) Show SMILES OCCOCn1cc(Cc2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of uridine phosphorylase (UrdPase) from murine liver.				J Med Chem 38: 3850-6 (1995) BindingDB Entry DOI: 10.7270/Q2B27T91
					More data for this Ligand-Target Pair
Uridine phosphorylase 1 (Homo sapiens (Human))	BDBM50026387 (1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4...) Show SMILES OCCOCn1cc(Cc2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a
Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS) Curated by ChEMBL					Assay Description Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 150 uM R1P by isothermal titration calori...				J Med Chem 56: 8892-902 (2013) Article DOI: 10.1021/jm401389u BindingDB Entry DOI: 10.7270/Q2HX1F44
					More data for this Ligand-Target Pair				3D Structure (crystal)
Uridine phosphorylase 1 (Homo sapiens (Human))	BDBM50026387 (1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4...) Show SMILES OCCOCn1cc(Cc2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a
Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS) Curated by ChEMBL					Assay Description Binding affinity to human recombinant UP1 expressed in Escherichia coli Rosetta (DE3) by isothermal titration calorimetric analysis				J Med Chem 56: 8892-902 (2013) Article DOI: 10.1021/jm401389u BindingDB Entry DOI: 10.7270/Q2HX1F44
					More data for this Ligand-Target Pair				3D Structure (crystal)
Uridine phosphorylase 1 (Homo sapiens (Human))	BDBM50026387 (1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4...) Show SMILES OCCOCn1cc(Cc2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a
Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS) Curated by ChEMBL					Assay Description Binding affinity to human recombinant UP1-inorganic phosphate binary complex expressed in Escherichia coli Rosetta (DE3) by isothermal titration calo...				J Med Chem 56: 8892-902 (2013) Article DOI: 10.1021/jm401389u BindingDB Entry DOI: 10.7270/Q2HX1F44
					More data for this Ligand-Target Pair				3D Structure (crystal)
Uridine phosphorylase 1 (Homo sapiens (Human))	BDBM50026387 (1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4...) Show SMILES OCCOCn1cc(Cc2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a
Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS) Curated by ChEMBL					Assay Description Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 50 uM R1P by isothermal titration calorim...				J Med Chem 56: 8892-902 (2013) Article DOI: 10.1021/jm401389u BindingDB Entry DOI: 10.7270/Q2HX1F44
					More data for this Ligand-Target Pair				3D Structure (crystal)