BDBM50017495 2-Benzo[b]thiophen-4-yl-N-[2-(3-hydroxymethyl-pyrrolidin-1-yl)-cyclohexyl]-N-methyl-acetamide; hydrochloride::CHEMBL541804
SMILES: CN([C@@H]1CCCC[C@H]1N1CCC(CO)C1)C(=O)Cc1cccc2sccc12
InChI Key: InChIKey=ZWCYXDPPXKYVFG-ODFWGIBRSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50017495 (2-Benzo[b]thiophen-4-yl-N-[2-(3-hydroxymethyl-pyrr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit Curated by ChEMBL | Assay Description Binding affinity towards opioid receptor kappa was determined | J Med Chem 32: 1620-6 (1989) BindingDB Entry DOI: 10.7270/Q2GH9JJB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50017495 (2-Benzo[b]thiophen-4-yl-N-[2-(3-hydroxymethyl-pyrr...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit Curated by ChEMBL | Assay Description Binding affinity towards opioid receptor mu was determined | J Med Chem 32: 1620-6 (1989) BindingDB Entry DOI: 10.7270/Q2GH9JJB | |||||||||||
More data for this Ligand-Target Pair |