BDBM11978 (1E,6E)-4-(1,3-dithian-2-ylidene)-1,7-bis(furan-2-yl)hepta-1,6-diene-3,5-dione::chemical diversity library compound 3

SMILES: O=[#6](\[#6]=[#6]\c1ccco1)-[#6](\[#6](=O)\[#6]=[#6]\c1ccco1)=[#6]-1/[#16]-[#6]-[#6]-[#6]-[#16]-1

InChI Key: InChIKey=CDXRSHKKQZISJY-CDJQDVQCSA-N

Data: 1 KI  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 = 11978   

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)	BDBM11978 ((1E,6E)-4-(1,3-dithian-2-ylidene)-1,7-bis(furan-2-...) Show SMILES O=[#6](\[#6]=[#6]\c1ccco1)-[#6](\[#6](=O)\[#6]=[#6]\c1ccco1)=[#6]-1/[#16]-[#6]-[#6]-[#6]-[#16]-1 Show InChI InChI=1S/C19H16O4S2/c20-16(8-6-14-4-1-10-22-14)18(19-24-12-3-13-25-19)17(21)9-7-15-5-2-11-23-15/h1-2,4-11H,3,12-13H2/b8-6+,9-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.70E+3	-7.64	3.20E+3	n/a	n/a	n/a	n/a	7.2	27
Montana State University					Assay Description For selected lead compounds from fluorescence-based high-throughput screening, Km and Vmax were calculated using the double-reciprocal Lineweaver-Bur...				J Med Chem 49: 5232-44 (2006) Article DOI: 10.1021/jm0605132 BindingDB Entry DOI: 10.7270/Q20C4T19
					More data for this Ligand-Target Pair