BDBM11996 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]acetic acid::Interchim compound 58
SMILES: Cc1ccc(C)n1-c1ccc(CC(O)=O)cc1
InChI Key: InChIKey=OJKIUURDWZWFAM-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) | BDBM11996 (2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]acetic ac...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 900 | -8.30 | 7.60E+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, the concentrations of inhibitor that caused 50% inhibition of enzymati... | 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 |