BDBM50096719 (S)-2-[(R)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionylamino]-acetylamino}-acetylamino)-3-(2,6-dimethyl-phenyl)-propionylamino]-4-methyl-pentanoic acid::CHEMBL109327
SMILES: CC(C)C[C@H](NC(=O)[C@@H](Cc1c(C)cccc1C)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
InChI Key: InChIKey=OLHDSEHCXLLTLE-VJGNERBWSA-N
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)) | BDBM50096719 ((S)-2-[(R)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-2,6-d...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University Curated by ChEMBL | Assay Description Binding affinity was determined towards Opioid receptor mu 1 in rat brain synaptosomes using [3H]-DAMGO as radioligand. | Bioorg Med Chem Lett 11: 327-9 (2001) BindingDB Entry DOI: 10.7270/Q2571B8P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50096719 ((S)-2-[(R)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-2,6-d...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University Curated by ChEMBL | Assay Description Binding affinity was determined towards Opioid receptor delta 1 in rat brain synaptosomes using [3H]-deltorphin II as radioligand. | Bioorg Med Chem Lett 11: 327-9 (2001) BindingDB Entry DOI: 10.7270/Q2571B8P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50096719 ((S)-2-[(R)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-2,6-d...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University Curated by ChEMBL | Assay Description In vitro inhibitory activity was determined against Opioid receptor delta 1 in mouse vas deferens | Bioorg Med Chem Lett 11: 327-9 (2001) BindingDB Entry DOI: 10.7270/Q2571B8P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50096719 ((S)-2-[(R)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-2,6-d...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University Curated by ChEMBL | Assay Description In vitro inhibitory activity was determined against Opioid receptor mu 1 in guinea pig ileum | Bioorg Med Chem Lett 11: 327-9 (2001) BindingDB Entry DOI: 10.7270/Q2571B8P | |||||||||||
More data for this Ligand-Target Pair |