BDBM27871 3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-sulfanylidene-4H-pyran-2-carbothioamide::hydroxypyrothione thioamide, 3c

SMILES: COc1ccc(CNC(=S)c2occc(=S)c2O)cc1

InChI Key: InChIKey=MZXLNPOTQNXJEX-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 = 27871   

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
Anthrax Lethal Factor (LF) (Bacillus anthracis)	BDBM27871 (3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-sulfanylid...) Show SMILES COc1ccc(CNC(=S)c2occc(=S)c2O)cc1 Show InChI InChI=1S/C14H13NO3S2/c1-17-10-4-2-9(3-5-10)8-15-14(20)13-12(16)11(19)6-7-18-13/h2-7,16H,8H2,1H3,(H,15,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	7.0	25
Howard Hughes Medical Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...				J Med Chem 52: 1063-74 (2009) Article DOI: 10.1021/jm8013212 BindingDB Entry DOI: 10.7270/Q2DJ5CZV
					More data for this Ligand-Target Pair