BDBM50194169 5-amino-1-(5-O-trityl-beta-D-ribofuranosyl)imidazole-4-(N-methyl)carboxamide::CHEMBL213018

SMILES: CNC(=O)c1ncn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2O)c1N

InChI Key: InChIKey=YYQASSSUMUZVOJ-ZYWWQZICSA-N

Data: 1 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 1 hit for monomerid = 50194169   

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 (TP) (Homo sapiens (Human))	BDBM50194169 (5-amino-1-(5-O-trityl-beta-D-ribofuranosyl)imidazo...) Show SMILES CNC(=O)c1ncn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2O)c1N Show InChI InChI=1S/C29H30N4O5/c1-31-27(36)23-26(30)33(18-32-23)28-25(35)24(34)22(38-28)17-37-29(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22,24-25,28,34-35H,17,30H2,1H3,(H,31,36)/t22-,24-,25-,28-/m1/s1	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	1.37E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of human TPase in presence of 100 uM thymidine				J Med Chem 49: 5562-70 (2006) Article DOI: 10.1021/jm0605379 BindingDB Entry DOI: 10.7270/Q2WD4061
					More data for this Ligand-Target Pair