Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidine phosphorylase' and Ligand = 'BDBM50531737'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50531737 (CHEMBL4527207) Show SMILES Ic1c(CN2CCCCC2)[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C10H14IN3O2/c11-8-7(12-10(16)13-9(8)15)6-14-4-2-1-3-5-14/h1-6H2,(H2,12,13,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli Rosetta (DE3) cells using thymidine as substrate after 1 min by...				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305 BindingDB Entry DOI: 10.7270/Q2FT8QHC
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