BDBM50340404 28-Hemisuccinylbetulin::CHEMBL1761333
SMILES: CC(=C)[C@@H]1CC[C@]2(COC(=O)CCC(O)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
InChI Key: InChIKey=YKHBDAXQBMVSEH-QOMFFSOSSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Botulinum neurotoxin type A (Clostridium botulinum) | BDBM50340404 (28-Hemisuccinylbetulin | CHEMBL1761333) | PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Inhibition of Clostridium BoNT/A protease light chain | Bioorg Med Chem Lett 21: 2229-31 (2011) Article DOI: 10.1016/j.bmcl.2011.02.115 BindingDB Entry DOI: 10.7270/Q2KS6RWV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Botulinum neurotoxin type A (Clostridium botulinum) | BDBM50340404 (28-Hemisuccinylbetulin | CHEMBL1761333) | PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Inhibition of Clostridium BoNT/A protease light chain | Bioorg Med Chem Lett 21: 2229-31 (2011) Article DOI: 10.1016/j.bmcl.2011.02.115 BindingDB Entry DOI: 10.7270/Q2KS6RWV | |||||||||||
More data for this Ligand-Target Pair |