BDBM50001044 (1S,9S,13S)-10-allyl-1,13-dimethyl-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-4-ol::3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol::CHEMBL74019
SMILES: C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C
InChI Key: InChIKey=LGQCVMYAEFTEFN-OAUYIBNBSA-N
Data: 2 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50001044 ((1S,9S,13S)-10-allyl-1,13-dimethyl-10-azatricyclo[...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article | 157 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 | Bioorg Med Chem Lett 7: 2303-2306 (1997) Article DOI: 10.1016/S0960-894X(97)00417-4 BindingDB Entry DOI: 10.7270/Q2319VVV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50001044 ((1S,9S,13S)-10-allyl-1,13-dimethyl-10-azatricyclo[...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand. | J Med Chem 35: 2812-8 (1992) BindingDB Entry DOI: 10.7270/Q29W0G3H | |||||||||||
More data for this Ligand-Target Pair |