BDBM50144275 CHEMBL419621::N-Ethyl-4-[(3-hydroxy-phenyl)-(8-phenethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide
SMILES: [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1cccc(-[#8])c1
InChI Key: InChIKey=OMADOVCARNSQAK-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50144275 (CHEMBL419621 | N-Ethyl-4-[(3-hydroxy-phenyl)-(8-ph...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.222 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL | Assay Description In vitro binding affinity towards opioid receptor mu 1 | Bioorg Med Chem Lett 14: 2113-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.052 BindingDB Entry DOI: 10.7270/Q21J997Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50144275 (CHEMBL419621 | N-Ethyl-4-[(3-hydroxy-phenyl)-(8-ph...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL | Assay Description In vitro binding affinity towards opioid receptor delta 1 | Bioorg Med Chem Lett 14: 2113-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.052 BindingDB Entry DOI: 10.7270/Q21J997Q | |||||||||||
More data for this Ligand-Target Pair |