BDBM11990 4-(5-{[(3E)-5-cyano-2-hydroxy-4-methyl-6-oxo-3,6-dihydropyridin-3-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide::chemical diversity library compound 15
SMILES: NS(=O)(=O)c1ccc(cc1)-c1ccc(C=c2c(=O)[nH]c(O)c(C#N)c2=C)o1
InChI Key: InChIKey=ARTWDZADTHIUKE-UHFFFAOYSA-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) | BDBM11990 (4-(5-{[(3E)-5-cyano-2-hydroxy-4-methyl-6-oxo-3,6-d...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 5.40E+3 | -7.23 | 1.08E+4 | 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 |