BDBM50016412 2,11,13,14-tetrahydroxy-11-isopropyl-6,9-dimethoxy-3,7,10-trimethyl-(1R,2R,3S,6S,7S,9S,10R,11S,12R,13S,14R)-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadec-12-yl 1-methyl-1H-2-pyrrolecarboxylate::CHEMBL2273045
SMILES: CO[C@@]12C[C@@]3(C)[C@]4(CC[C@H](C)[C@@H](O)[C@]4(O1)[C@]1(O)[C@@]3(O)[C@H](OC(=O)c3cccn3C)[C@](O)(C(C)C)[C@]21C)OC
InChI Key: InChIKey=QGEVIXWMOQEXMH-GDJRSOFZSA-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) | BDBM50016412 (2,11,13,14-tetrahydroxy-11-isopropyl-6,9-dimethoxy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.30E+3 | 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 |