BDBM50000786 2-(3,4-Dichloro-phenyl)-N-methyl-N-(3-methylene-2-oxo-8-pyrrolidin-1-yl-1-oxa-spiro[4.5]dec-7-yl)-acetamide(SMBU-1)::CHEMBL307235
SMILES: CN([C@H]1C[C@@]2(CC(=C)C(=O)O2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChI Key: InChIKey=AIGXNGMYDUNNBN-JTAQYXEDSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50000786 (2-(3,4-Dichloro-phenyl)-N-methyl-N-(3-methylene-2-...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 109 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Taiwan University Curated by ChEMBL | Assay Description Binding affinity against opioid receptor kappa from guinea pig brain membranes using [3H]ethylketocyclazocine as radioligand | J Med Chem 35: 2243-7 (1992) BindingDB Entry DOI: 10.7270/Q20K296N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50000786 (2-(3,4-Dichloro-phenyl)-N-methyl-N-(3-methylene-2-...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Taiwan University Curated by ChEMBL | Assay Description Binding affinity against opioid receptor mu from guinea pig brain membranes using [3H]naloxone as radioligand | J Med Chem 35: 2243-7 (1992) BindingDB Entry DOI: 10.7270/Q20K296N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50000786 (2-(3,4-Dichloro-phenyl)-N-methyl-N-(3-methylene-2-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 9.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Taiwan University Curated by ChEMBL | Assay Description Binding affinity against opioid receptor delta from guinea pig brain membranes using [3H]DADLE as radioligand | J Med Chem 35: 2243-7 (1992) BindingDB Entry DOI: 10.7270/Q20K296N | |||||||||||
More data for this Ligand-Target Pair |