Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM50426856'   

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 (Escherichia coli)	BDBM50426856 (CHEMBL2323402) Show SMILES Cc1onc(c1C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23)-c1c(F)cccc1Cl |(28.77,-31.74,;30.22,-31.29,;31.46,-32.22,;32.73,-31.33,;32.27,-29.85,;30.72,-29.84,;29.44,-29.02,;28.07,-29.69,;29.49,-27.47,;28.15,-26.71,;28.15,-25.18,;26.83,-24.41,;26.83,-22.86,;28.18,-22.09,;25.5,-22.08,;24.17,-22.86,;22.82,-22.1,;24.17,-24.41,;22.84,-25.17,;22.85,-26.71,;24.18,-27.47,;25.49,-26.7,;26.82,-27.48,;25.5,-25.17,;33.04,-28.52,;32.27,-27.17,;30.74,-27.17,;33.05,-25.84,;34.6,-25.84,;35.36,-27.2,;34.58,-28.53,;35.34,-29.87,)| Show InChI InChI=1S/C23H12ClFN2O5/c1-10-17(20(27-32-10)19-15(24)6-3-7-16(19)25)21(28)26-12-8-11-4-2-5-13-18(11)14(9-12)23(30)31-22(13)29/h2-9H,1H3,(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli thymidylate synthase A				Bioorg Med Chem Lett 23: 663-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.117 BindingDB Entry DOI: 10.7270/Q27W6DHQ
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50426856 (CHEMBL2323402) Show SMILES Cc1onc(c1C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23)-c1c(F)cccc1Cl |(28.77,-31.74,;30.22,-31.29,;31.46,-32.22,;32.73,-31.33,;32.27,-29.85,;30.72,-29.84,;29.44,-29.02,;28.07,-29.69,;29.49,-27.47,;28.15,-26.71,;28.15,-25.18,;26.83,-24.41,;26.83,-22.86,;28.18,-22.09,;25.5,-22.08,;24.17,-22.86,;22.82,-22.1,;24.17,-24.41,;22.84,-25.17,;22.85,-26.71,;24.18,-27.47,;25.49,-26.7,;26.82,-27.48,;25.5,-25.17,;33.04,-28.52,;32.27,-27.17,;30.74,-27.17,;33.05,-25.84,;34.6,-25.84,;35.36,-27.2,;34.58,-28.53,;35.34,-29.87,)| Show InChI InChI=1S/C23H12ClFN2O5/c1-10-17(20(27-32-10)19-15(24)6-3-7-16(19)25)21(28)26-12-8-11-4-2-5-13-18(11)14(9-12)23(30)31-22(13)29/h2-9H,1H3,(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.59E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase A				Bioorg Med Chem Lett 23: 663-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.117 BindingDB Entry DOI: 10.7270/Q27W6DHQ
					More data for this Ligand-Target Pair