BDBM50017241 (4aS,9aR)-4a-Ethyl-2-furan-2-ylmethyl-1,2,3,4,4a,9a-hexahydro-benzo[4,5]furo[2,3-c]pyridin-6-ol; hydrochloride::CHEMBL552619
SMILES: CC[C@@]12CCN(Cc3ccco3)C[C@@H]1Oc1ccc(O)cc21
InChI Key: InChIKey=OIIBUTMFWBADDN-ROUUACIJSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor (MOUSE) | BDBM50017241 ((4aS,9aR)-4a-Ethyl-2-furan-2-ylmethyl-1,2,3,4,4a,9...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CIBA-GEIGY Corporation Curated by ChEMBL | Assay Description Binding affinity for mouse opioid receptor mu | J Med Chem 32: 2221-6 (1989) BindingDB Entry DOI: 10.7270/Q2Q240T3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse)) | BDBM50017241 ((4aS,9aR)-4a-Ethyl-2-furan-2-ylmethyl-1,2,3,4,4a,9...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 571 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CIBA-GEIGY Corporation Curated by ChEMBL | Assay Description Binding affinity for mouse sigma opioid receptor | J Med Chem 32: 2221-6 (1989) BindingDB Entry DOI: 10.7270/Q2Q240T3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Mus musculus (Mouse)) | BDBM50017241 ((4aS,9aR)-4a-Ethyl-2-furan-2-ylmethyl-1,2,3,4,4a,9...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CIBA-GEIGY Corporation Curated by ChEMBL | Assay Description Binding affinity for mouse opioid receptor kappa | J Med Chem 32: 2221-6 (1989) BindingDB Entry DOI: 10.7270/Q2Q240T3 | |||||||||||
More data for this Ligand-Target Pair |