BDBM50336593 2-{[(1S,5R,13R,14R,17S)-10-hydroxy-17-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-yl]amino}acetic acid::CHEMBL1672085
SMILES: CO[C@]12CC[C@@H](NCC(O)=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O
InChI Key: InChIKey=YHKUQEWICWSOTO-SWJKATBISA-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 (Rattus norvegicus (rat)) | BDBM50336593 (2-{[(1S,5R,13R,14R,17S)-10-hydroxy-17-methoxy-4-me...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting | J Med Chem 54: 980-8 (2011) Article DOI: 10.1021/jm101211p BindingDB Entry DOI: 10.7270/Q2MP53KV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50336593 (2-{[(1S,5R,13R,14R,17S)-10-hydroxy-17-methoxy-4-me...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting | J Med Chem 54: 980-8 (2011) Article DOI: 10.1021/jm101211p BindingDB Entry DOI: 10.7270/Q2MP53KV | |||||||||||
More data for this Ligand-Target Pair |