Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM50408134'   

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 (Mus musculus)	BDBM50408134 (CHEMBL35941) Show SMILES CN(CC(O)=O)C(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(C)[nH]c(=O)c2c1 Show InChI InChI=1S/C28H29N5O7/c1-4-13-33(15-18-5-10-22-21(14-18)27(39)30-17(2)29-22)20-8-6-19(7-9-20)26(38)31-23(11-12-24(34)35)28(40)32(3)16-25(36)37/h1,5-10,14,23H,11-13,15-16H2,2-3H3,(H,31,38)(H,34,35)(H,36,37)(H,29,30,39)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of Thymidylate Synthase(TS) from mouse L1210 cells				J Med Chem 40: 1495-510 (1997) Article DOI: 10.1021/jm960878u BindingDB Entry DOI: 10.7270/Q2862HP3
					More data for this Ligand-Target Pair