BDBM50191286 Bastadin-5::CHEMBL439151::bastadin 5
SMILES: Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O
InChI Key: InChIKey=UVKXJHANKLBBKZ-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ryanodine receptor 1 (Oryctolagus cuniculus) | BDBM50191286 (Bastadin-5 | CHEMBL439151 | bastadin 5) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Displacement of [3H]ryanodine from Ry1R/FKBP12 receptor complex in rabbit sarcoplasmic reticulum | J Nat Prod 59: 1121-7 (1997) Article DOI: 10.1021/np960507g BindingDB Entry DOI: 10.7270/Q2VM4D59 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RyR1/FKBP12 (Homo sapiens (Human)) | BDBM50191286 (Bastadin-5 | CHEMBL439151 | bastadin 5) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Agonist like activity at skeletal junction sarcoplasmic reticulum RyR1/FKBP12 complex assessed as increase in [3H]ryanodine binding | J Med Chem 49: 4497-511 (2006) Article DOI: 10.1021/jm050708u BindingDB Entry DOI: 10.7270/Q23R0WND | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ryanodine receptor 1 (Homo sapiens (Human)) | BDBM50191286 (Bastadin-5 | CHEMBL439151 | bastadin 5) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a |
Polish Academy of Sciences Curated by ChEMBL | Assay Description Binding affinity to RYR1 channels by calcium mobilization assay | Bioorg Med Chem Lett 18: 5734-7 (2009) Article DOI: 10.1016/j.bmcl.2008.09.080 BindingDB Entry DOI: 10.7270/Q2NV9K5T | |||||||||||
More data for this Ligand-Target Pair |