Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM50035013'   

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))	BDBM50035013 (5,N*2*,N*6*-Trimethyl-N*6*-pyridin-4-ylmethyl-benz...) Show SMILES CNC1=Nc2ccc(N(C)Cc3ccncc3)c3c(C)ccc1c23 |t:2| Show InChI InChI=1S/C20H20N4/c1-13-4-5-15-19-16(23-20(15)21-2)6-7-17(18(13)19)24(3)12-14-8-10-22-11-9-14/h4-11H,12H2,1-3H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory effect against recombinant human thymidylate synthase				J Med Chem 38: 1892-903 (1995) BindingDB Entry DOI: 10.7270/Q2X929B2
					More data for this Ligand-Target Pair