Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM50387412'   

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
Thymidylate synthase (Homo sapiens (Human))	BDBM50387412 (CHEMBL2047252) Show SMILES Nc1nc2cc3ccccc3c2c(Nc2ccc(F)c(Cl)c2)[nH]1 Show InChI InChI=1S/C17H12ClFN4/c18-12-8-10(5-6-13(12)19)21-16-15-11-4-2-1-3-9(11)7-14(15)22-17(20)23-16/h1-8,21H,(H3,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase				Bioorg Med Chem 20: 4217-25 (2012) Article DOI: 10.1016/j.bmc.2012.05.068 BindingDB Entry DOI: 10.7270/Q25X29ZH
					More data for this Ligand-Target Pair