BDBM88698 2-hydroxy-3-methoxy-benzoic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester::2-hydroxy-3-methoxybenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester::MLS000774580::SMR000372096::[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-methoxy-2-oxidanyl-benzoate::[2-(1H-indol-3-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate::cid_2413462
SMILES: COc1cccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)c1O
InChI Key: InChIKey=GHUSASQHNXGPBV-UHFFFAOYSA-N
Data: 2 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
botulinum neurotoxin type A (Clostridium botulinum (strain Hall / ATCC 3502 / N...) | BDBM88698 (2-hydroxy-3-methoxy-benzoic acid [2-(1H-indol-3-yl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox... | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q22N50WB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Antrax lethal toxin (Bacillus anthracis) | BDBM88698 (2-hydroxy-3-methoxy-benzoic acid [2-(1H-indol-3-yl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox... | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q26D5RK7 | |||||||||||
More data for this Ligand-Target Pair |