BDBM27870 N-[(4-fluorophenyl)methyl]-3-hydroxy-4-sulfanylidene-4H-pyran-2-carbothioamide::hydroxypyrothione thioamide, 2c

SMILES: Oc1c(occc1=S)C(=S)NCc1ccc(F)cc1

InChI Key: InChIKey=ZVHLCMKNVHOGCA-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 = 27870   

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)	BDBM27870 (N-[(4-fluorophenyl)methyl]-3-hydroxy-4-sulfanylide...) Show SMILES Oc1c(occc1=S)C(=S)NCc1ccc(F)cc1 Show InChI InChI=1S/C13H10FNO2S2/c14-9-3-1-8(2-4-9)7-15-13(19)12-11(16)10(18)5-6-17-12/h1-6,16H,7H2,(H,15,19)	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	9.20E+3	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