BDBM50080453 (S)-2-({2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinolin-3-ylmethyl}-amino)-N-((S)-1-carbamoyl-2-phenyl-ethyl)-3-phenyl-propionamide::CHEMBL119590
SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI Key: InChIKey=MZZBNDGZTPEYGP-QHMGJUIVSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50080453 ((S)-2-({2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.447 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes | Bioorg Med Chem Lett 23: 5082-5 (2013) Article DOI: 10.1016/j.bmcl.2013.07.036 BindingDB Entry DOI: 10.7270/Q2RN3BSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50080453 ((S)-2-({2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Binding affinity for Opioid receptor delta 1 determined by displacing [3H]-DSLET from rat brain membrane binding sites | J Med Chem 42: 3520-6 (1999) Article DOI: 10.1021/jm980724+ BindingDB Entry DOI: 10.7270/Q2SJ1JT1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50080453 ((S)-2-({2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description . Binding affinity for Opioid receptor mu 1 determined by displacing [3H]-DAMGO from rat brain membrane binding sites | J Med Chem 42: 3520-6 (1999) Article DOI: 10.1021/jm980724+ BindingDB Entry DOI: 10.7270/Q2SJ1JT1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50080453 ((S)-2-({2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.943 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes | Bioorg Med Chem Lett 23: 5082-5 (2013) Article DOI: 10.1016/j.bmcl.2013.07.036 BindingDB Entry DOI: 10.7270/Q2RN3BSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50080453 ((S)-2-({2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-p...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Binding affinity for Opioid receptor kappa 1 determined by displacement of [3H]U69,593 from guinea pig brain membranes | J Med Chem 42: 3520-6 (1999) Article DOI: 10.1021/jm980724+ BindingDB Entry DOI: 10.7270/Q2SJ1JT1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
mu/kappa opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50080453 ((S)-2-({2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-p...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig brain membranes | Bioorg Med Chem Lett 23: 5082-5 (2013) Article DOI: 10.1016/j.bmcl.2013.07.036 BindingDB Entry DOI: 10.7270/Q2RN3BSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50080453 ((S)-2-({2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-p...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Agonist activity at mu opioid receptor in guinea pig ileum assessed as induction of electrically-stimulated muscle contraction | Bioorg Med Chem Lett 23: 5082-5 (2013) Article DOI: 10.1016/j.bmcl.2013.07.036 BindingDB Entry DOI: 10.7270/Q2RN3BSK | |||||||||||
More data for this Ligand-Target Pair |