BDBM50326742 (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-3,3a,4-trihydroxy-3,6,9-trimethyl-8-((Z)-2-methylbut-2-enoyloxy)-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate::CHEMBL1253562
SMILES: CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@@H](O)C[C@](C)(OC(C)=O)[C@@H]12
InChI Key: InChIKey=UBPDDZPGODTCDF-CQDUWLBUSA-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 |
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Sarcoplasmic/endoplasmic reticulum calcium ATP-ase (Oryctolagus cuniculus) | BDBM50326742 ((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-3,3a,4-trih...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Binding affinity to SERCA1a in sarcoplasmic reticulum vesicles of rabbit skeletal muscle after 2.5 to 6 mins by spectrophotometric analysis | J Med Chem 56: 3609-19 (2013) Article DOI: 10.1021/jm4001083 BindingDB Entry DOI: 10.7270/Q20V8F4F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase (Oryctolagus cuniculus) | BDBM50326742 ((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-3,3a,4-trih...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay | Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD | |||||||||||
More data for this Ligand-Target Pair |