BDBM50194170 1-propyl-5'-O-tritylinosine::CHEMBL213890

SMILES: CCCn1cnc2n(cnc2c1=O)[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O

InChI Key: InChIKey=GTLQVJJXEZWWMS-QWOIFIOOSA-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 = 50194170   

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))	BDBM50194170 (1-propyl-5'-O-tritylinosine | CHEMBL213890) Show SMILES CCCn1cnc2n(cnc2c1=O)[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O Show InChI InChI=1S/C32H32N4O5/c1-2-18-35-20-34-29-26(30(35)39)33-21-36(29)31-28(38)27(37)25(41-31)19-40-32(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,20-21,25,27-28,31,37-38H,2,18-19H2,1H3/t25-,27-,28-,31-/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	1.30E+4	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