BDBM50316412 2-amino-4-oxo-5-thiopyridyl-6-methyl pyrrolo(2,3-d)pyrimidine::CHEMBL1096259

SMILES: Cc1[nH]c2nc(C)[nH]c(=O)c2c1Sc1ccncc1

InChI Key: InChIKey=MTZLAGURLCMLEH-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50316412   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thymidylate synthase (Homo sapiens (Human))	BDBM50316412 (2-amino-4-oxo-5-thiopyridyl-6-methyl pyrrolo(2,3-d...) Show SMILES Cc1[nH]c2nc(C)[nH]c(=O)c2c1Sc1ccncc1 Show InChI InChI=1S/C13H12N4OS/c1-7-11(19-9-3-5-14-6-4-9)10-12(15-7)16-8(2)17-13(10)18/h3-6H,1-2H3,(H2,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase				Eur J Med Chem 45: 1453-8 (2010) Article DOI: 10.1016/j.ejmech.2009.12.050 BindingDB Entry DOI: 10.7270/Q2QZ2B4G
					More data for this Ligand-Target Pair