BDBM50068664 2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-4-methyl-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl}-amino)-3-phenyl-propionylamino]-3-phenyl-propionic acid::CHEMBL191751
SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
InChI Key: InChIKey=JYOUATXRHWNDDW-YRCZKMHPSA-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)) | BDBM50068664 (2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.308 | 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 Tested for binding affinity against delta opioid receptor by displacing [3H]- DSLET radioligand from rat brain membrane preparations | J Med Chem 36: 3182-7 (1993) BindingDB Entry DOI: 10.7270/Q2F190BW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50068664 (2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.20 | 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 Tested for binding affinity against delta opioid receptor by displacing [3H]- DSLET radioligand from rat brain membrane preparations | J Med Chem 36: 3182-7 (1993) BindingDB Entry DOI: 10.7270/Q2F190BW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50068664 (2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Affinity towards human Opioid receptor delta 1 on CHO cell membranes using [3H]DPDPE displacement. | J Med Chem 43: 5050-4 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z8P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50068664 (2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.20 | 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)) | BDBM50068664 (2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.22 | 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 membrane | J Med Chem 52: 6941-5 (2009) Article DOI: 10.1021/jm9004913 BindingDB Entry DOI: 10.7270/Q2S182KK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50068664 (2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel Curated by ChEMBL | Assay Description Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement. | J Med Chem 41: 5167-76 (1999) Article DOI: 10.1021/jm981011u BindingDB Entry DOI: 10.7270/Q2XK8G7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
mu/kappa opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50068664 (2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase 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 | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50068664 (2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase 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 membrane | J Med Chem 52: 6941-5 (2009) Article DOI: 10.1021/jm9004913 BindingDB Entry DOI: 10.7270/Q2S182KK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50068664 (2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.72E+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]DAMGO from mu opioid receptor in rat brain membrane | J Med Chem 52: 6941-5 (2009) Article DOI: 10.1021/jm9004913 BindingDB Entry DOI: 10.7270/Q2S182KK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50068664 (2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.72E+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]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 | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50068664 (2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.72E+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 Tested for binding affinity against mu opioid receptor fby displacing [3H]- DAMGO radioligand from rat brain membrane preparations | J Med Chem 36: 3182-7 (1993) BindingDB Entry DOI: 10.7270/Q2F190BW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50068664 (2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.23E+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 Tested for binding affinity against mu opioid receptor fby displacing [3H]- DAMGO radioligand from rat brain membrane preparations | J Med Chem 36: 3182-7 (1993) BindingDB Entry DOI: 10.7270/Q2F190BW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50068664 (2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel Curated by ChEMBL | Assay Description Binding affinity towards Opioid receptor mu 1 on rat forebrain membranes by [3H]sufentanil displacement. | J Med Chem 41: 5167-76 (1999) Article DOI: 10.1021/jm981011u BindingDB Entry DOI: 10.7270/Q2XK8G7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50068664 (2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | >4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Affinity towards human Opioid receptor mu 1 on CHO cell membranes using [3H]DAMGO displacement. | J Med Chem 43: 5050-4 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z8P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50068664 (2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel Curated by ChEMBL | Assay Description Binding affinity towards Opioid receptor mu 1 on rat forebrain membranes by [3H]sufentanil displacement. | J Med Chem 41: 5167-76 (1999) Article DOI: 10.1021/jm981011u BindingDB Entry DOI: 10.7270/Q2XK8G7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50068664 (2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel Curated by ChEMBL | Assay Description Binding affinity towards Opioid receptor kappa 1 on guinea pig cerebellum membranes by [3H]U-69593 displacement. | J Med Chem 41: 5167-76 (1999) Article DOI: 10.1021/jm981011u BindingDB Entry DOI: 10.7270/Q2XK8G7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50068664 (2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | 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 effect on muscle contraction | J Med Chem 52: 6941-5 (2009) Article DOI: 10.1021/jm9004913 BindingDB Entry DOI: 10.7270/Q2S182KK | |||||||||||
More data for this Ligand-Target Pair |