BDBM50194171 1-[(2-methoxyethoxy)methyl]-5'-O-tritylinosine::CHEMBL378644

SMILES: COCCOCn1cnc2n(cnc2c1=O)[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O

InChI Key: InChIKey=RIBPPMFRQYXNBP-DWCTZGTLSA-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 = 50194171   

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))	BDBM50194171 (1-[(2-methoxyethoxy)methyl]-5'-O-tritylinosine | C...) Show SMILES COCCOCn1cnc2n(cnc2c1=O)[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O Show InChI InChI=1S/C33H34N4O7/c1-41-17-18-42-22-36-20-35-30-27(31(36)40)34-21-37(30)32-29(39)28(38)26(44-32)19-43-33(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,20-21,26,28-29,32,38-39H,17-19,22H2,1H3/t26-,28-,29-,32-/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	>1.00E+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