Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM50432390'   

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))	BDBM50432390 (CHEMBL2348548) Show SMILES Cc1ncc(n1CCSc1nnc(o1)-c1ccc(F)cc1)[N+]([O-])=O Show InChI InChI=1S/C14H12FN5O3S/c1-9-16-8-12(20(21)22)19(9)6-7-24-14-18-17-13(23-14)10-2-4-11(15)5-3-10/h2-5,8H,6-7H2,1H3	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase by spectrophotometric analysis				Bioorg Med Chem 21: 2286-97 (2013) Article DOI: 10.1016/j.bmc.2013.02.008 BindingDB Entry DOI: 10.7270/Q2FN17K3
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