Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM50350124'   

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 (Enterococcus faecalis)	BDBM50350124 (CHEMBL1231557) Show SMILES Cc1cccc2C(=O)N(C(=O)c12)c1ccc(cc1)C#N Show InChI InChI=1S/C16H10N2O2/c1-10-3-2-4-13-14(10)16(20)18(15(13)19)12-7-5-11(9-17)6-8-12/h2-8H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis thymidylate synthase using N5,N10-methylene tetrahydrofolate by chromogenic assay				J Med Chem 54: 5454-67 (2011) Article DOI: 10.1021/jm2005018 BindingDB Entry DOI: 10.7270/Q2VH5P6D
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50350124 (CHEMBL1231557) Show SMILES Cc1cccc2C(=O)N(C(=O)c12)c1ccc(cc1)C#N Show InChI InChI=1S/C16H10N2O2/c1-10-3-2-4-13-14(10)16(20)18(15(13)19)12-7-5-11(9-17)6-8-12/h2-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Lactobacillus casei thymidylate synthase using N5,N10-methylene tetrahydrofolate by chromogenic assay				J Med Chem 54: 5454-67 (2011) Article DOI: 10.1021/jm2005018 BindingDB Entry DOI: 10.7270/Q2VH5P6D
					More data for this Ligand-Target Pair				3D Structure (crystal)