BDBM50016410 2,6,9,11,13,14-hexahydroxy-11-(2-hydroxy-1-methylethyl)-3,7,10-trimethyl-(6S,7S,10R,11S,13S,14R)-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadec-12-yl 1H-2-pyrrolecarboxylate::CHEMBL163108::EPIRYANODINE
SMILES: CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@H](C)CC[C@]35O)[C@@]2(O)[C@]14C
InChI Key: InChIKey=KIFLYJJBQSTPLB-KYEHZBLFSA-N
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ryanodine receptor 1 (Oryctolagus cuniculus) | BDBM50016410 (2,6,9,11,13,14-hexahydroxy-11-(2-hydroxy-1-methyle...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 80 min by c... | J Med Chem 30: 710-6 (1987) BindingDB Entry DOI: 10.7270/Q26M37D3 | |||||||||||
More data for this Ligand-Target Pair |