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
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-...) | 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 |