BDBM11977 5-bromo-2-(5-{[(4Z)-1-(3-carboxyphenyl)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid::chemical diversity library compound 2
SMILES: OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccc(o2)-c2ccc(Br)cc2C(O)=O)C1=O)C(F)(F)F
InChI Key: InChIKey=CDPPDRJSGHLYJL-YVLHZVERSA-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) | BDBM11977 (5-bromo-2-(5-{[(4Z)-1-(3-carboxyphenyl)-5-oxo-3-(t...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 1.60E+3 | -7.95 | 1.80E+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 |