BDBM50078074 2-Amino-6-methyl-5-(pyridin-4-ylsulfanylmethyl)-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one::CHEMBL74139

SMILES: Cc1[nH]c2nc(N)[nH]c(=O)c2c1CSc1ccncc1

InChI Key: InChIKey=XMNSSOYJBCPOAX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50078074   

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))	BDBM50078074 (2-Amino-6-methyl-5-(pyridin-4-ylsulfanylmethyl)-3,...) Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1CSc1ccncc1 Show InChI InChI=1S/C13H13N5OS/c1-7-9(6-20-8-2-4-15-5-3-8)10-11(16-7)17-13(14)18-12(10)19/h2-5H,6H2,1H3,(H4,14,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition at a given concentration against Lactobacillus casei Thymidylate synthase				J Med Chem 42: 2272-9 (1999) Article DOI: 10.1021/jm980586o BindingDB Entry DOI: 10.7270/Q29Z9421
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50078074 (2-Amino-6-methyl-5-(pyridin-4-ylsulfanylmethyl)-3,...) Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1CSc1ccncc1 Show InChI InChI=1S/C13H13N5OS/c1-7-9(6-20-8-2-4-15-5-3-8)10-11(16-7)17-13(14)18-12(10)19/h2-5H,6H2,1H3,(H4,14,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition at a given concentration against recombinant human Thymidylate synthase				J Med Chem 42: 2272-9 (1999) Article DOI: 10.1021/jm980586o BindingDB Entry DOI: 10.7270/Q29Z9421
					More data for this Ligand-Target Pair