BDBM31911 2-[(2,6-diaminopyrimidin-4-yl)sulfanyl]acetamide, 8

SMILES: NC(=O)CSc1cc(N)nc(N)n1

InChI Key: InChIKey=BKCXEOSYALVKFW-UHFFFAOYSA-N

Data: 1 Other

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 31911   

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
2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase (IspF) (Escherichia coli (strain K12))	BDBM31911 (2-[(2,6-diaminopyrimidin-4-yl)sulfanyl]acetamide, ...) Show SMILES NC(=O)CSc1cc(N)nc(N)n1 Show InChI InChI=1S/C6H9N5OS/c7-3-1-5(11-6(9)10-3)13-2-4(8)12/h1H,2H2,(H2,8,12)(H4,7,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.0	10
University of Dundee					Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr...				J Med Chem 52: 2531-42 (2009) Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB
					More data for this Ligand-Target Pair