Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidine phosphorylase' and Ligand = 'BDBM50274865'   

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 (Escherichia coli)	BDBM50274865 (CHEMBL4125852) Show SMILES Fc1ccc(cc1)-c1nnc(o1)-c1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C31H19Cl2FN4O/c32-20-7-11-27-23(13-20)25(15-35-27)29(26-16-36-28-12-8-21(33)14-24(26)28)17-1-3-18(4-2-17)30-37-38-31(39-30)19-5-9-22(34)10-6-19/h1-16,29,35-36H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli thymidine phosphorylase pretreated for 10 mins followed by substrate addition measured at 10 mins interval for 30 mins...				Bioorg Med Chem 26: 3654-3663 (2018) Article DOI: 10.1016/j.bmc.2018.05.046 BindingDB Entry DOI: 10.7270/Q22V2JKV
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