BDBM50122764 2-Amino-1-(5-bromo-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-ylmethyl)-3H-imidazol-1-ium; chloride::5-bromo-6-[(2-aminoimidazol-1-yl)methyl]uracil hydrochloride::CHEMBL122679::CHEMBL65986

SMILES: Nc1[nH+]ccn1Cc1[nH]c(=O)[nH]c(=O)c1Br

InChI Key: InChIKey=XUBIFQIUVKXXLR-UHFFFAOYSA-O

Data: 4 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 4 hits for monomerid = 50122764   

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
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50122764 (2-Amino-1-(5-bromo-2,6-dioxo-1,2,3,6-tetrahydro-py...) Show SMILES Nc1[nH+]ccn1Cc1[nH]c(=O)[nH]c(=O)c1Br Show InChI InChI=1S/C8H8BrN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-2H,3H2,(H2,10,11)(H2,12,13,15,16)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against recombinant purified E. coli Thymidine Phosphorylase				J Med Chem 46: 207-9 (2003) Article DOI: 10.1021/jm020964w BindingDB Entry DOI: 10.7270/Q24X574R
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50122764 (2-Amino-1-(5-bromo-2,6-dioxo-1,2,3,6-tetrahydro-py...) Show SMILES Nc1[nH+]ccn1Cc1[nH]c(=O)[nH]c(=O)c1Br Show InChI InChI=1S/C8H8BrN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-2H,3H2,(H2,10,11)(H2,12,13,15,16)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory concentration against human thymidine phosphorylase				J Med Chem 48: 392-402 (2005) Article DOI: 10.1021/jm049494r BindingDB Entry DOI: 10.7270/Q2445N8K
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50122764 (2-Amino-1-(5-bromo-2,6-dioxo-1,2,3,6-tetrahydro-py...) Show SMILES Nc1[nH+]ccn1Cc1[nH]c(=O)[nH]c(=O)c1Br Show InChI InChI=1S/C8H8BrN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-2H,3H2,(H2,10,11)(H2,12,13,15,16)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli thymidine phosphorylase				Bioorg Med Chem Lett 13: 3705-9 (2003) BindingDB Entry DOI: 10.7270/Q2SQ90ZZ
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50122764 (2-Amino-1-(5-bromo-2,6-dioxo-1,2,3,6-tetrahydro-py...) Show SMILES Nc1[nH+]ccn1Cc1[nH]c(=O)[nH]c(=O)c1Br Show InChI InChI=1S/C8H8BrN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-2H,3H2,(H2,10,11)(H2,12,13,15,16)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant thymidine phosphorylase				Eur J Med Chem 43: 1248-60 (2008) Article DOI: 10.1016/j.ejmech.2007.07.015 BindingDB Entry DOI: 10.7270/Q2Z31ZDP
					More data for this Ligand-Target Pair