BDBM21123 (2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanamide::Enkephalin Amide::YDAGF-NH2
SMILES: C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI Key: InChIKey=RJEUERNNQHNSKG-CCKFTAQKSA-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)) | BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Centre of the Hungarian Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis | Eur J Med Chem 178: 571-588 (2019) Article DOI: 10.1016/j.ejmech.2019.05.037 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Reproductive Medicine Special Hospital of the First Hospital of Lanzhou University, Key Laboratory for Reproductive Medicine and Embryo Gansu Province, China. Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu-opioid receptor in Wistar rat brain membrane after 1 hr by microbeta scintillation counting method | Bioorg Med Chem Lett 27: 2119-2123 (2017) Article DOI: 10.1016/j.bmcl.2017.03.067 BindingDB Entry DOI: 10.7270/Q2668GMF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2.80 | -11.7 | n/a | n/a | 13 | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson | Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... | J Med Chem 50: 5528-32 (2007) Article DOI: 10.1021/jm061465o BindingDB Entry DOI: 10.7270/Q2D50K8P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells | Bioorg Med Chem Lett 20: 4080-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.078 BindingDB Entry DOI: 10.7270/Q2D79CCN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells | Bioorg Med Chem Lett 20: 4080-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.078 BindingDB Entry DOI: 10.7270/Q2D79CCN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Centre of the Hungarian Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]Ile5,6-deltorphin-2 from DOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis | Eur J Med Chem 178: 571-588 (2019) Article DOI: 10.1016/j.ejmech.2019.05.037 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
mu/kappa opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 173 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Centre of the Hungarian Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]HS-665 from KOR in guinea pig brain membranes after 60 mins by liquid scintillation analysis | Eur J Med Chem 178: 571-588 (2019) Article DOI: 10.1016/j.ejmech.2019.05.037 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells | Bioorg Med Chem Lett 20: 4080-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.078 BindingDB Entry DOI: 10.7270/Q2D79CCN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 300 | -8.89 | n/a | n/a | 190 | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson | Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... | J Med Chem 50: 5528-32 (2007) Article DOI: 10.1021/jm061465o BindingDB Entry DOI: 10.7270/Q2D50K8P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Reproductive Medicine Special Hospital of the First Hospital of Lanzhou University, Key Laboratory for Reproductive Medicine and Embryo Gansu Province, China. Curated by ChEMBL | Assay Description Displacement of [3H]DPDPE from delta-opioid receptor in Wistar rat brain membrane after 3 hrs by microbeta scintillation counting method | Bioorg Med Chem Lett 27: 2119-2123 (2017) Article DOI: 10.1016/j.bmcl.2017.03.067 BindingDB Entry DOI: 10.7270/Q2668GMF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor (Rattus norvegicus (Rat)-Rattus norvegicus (rat)) | BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | 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 |
Biological Research Centre of the Hungarian Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis | Eur J Med Chem 178: 571-588 (2019) Article DOI: 10.1016/j.ejmech.2019.05.037 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor (Rattus norvegicus (Rat)-Rattus norvegicus (rat)) | BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | 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 |
Biological Research Centre of the Hungarian Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]WIN-55,212-2 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis | Eur J Med Chem 178: 571-588 (2019) Article DOI: 10.1016/j.ejmech.2019.05.037 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 154 | n/a | n/a | n/a | n/a |
Biological Research Centre of the Hungarian Academy of Sciences Curated by ChEMBL | Assay Description Agonist activity at MOR in Wistar rat brain membranes after 60 mins by [35S]-GTPgammaS binding assay | Eur J Med Chem 178: 571-588 (2019) Article DOI: 10.1016/j.ejmech.2019.05.037 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Agonist activity at rat mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding | J Med Chem 54: 382-6 (2011) Article DOI: 10.1021/jm100982d BindingDB Entry DOI: 10.7270/Q2N29XWF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Agonist activity at rat mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding | J Med Chem 54: 382-6 (2011) Article DOI: 10.1021/jm100982d BindingDB Entry DOI: 10.7270/Q2N29XWF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction | J Med Chem 54: 382-6 (2011) Article DOI: 10.1021/jm100982d BindingDB Entry DOI: 10.7270/Q2N29XWF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction | J Med Chem 54: 382-6 (2011) Article DOI: 10.1021/jm100982d BindingDB Entry DOI: 10.7270/Q2N29XWF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction | Bioorg Med Chem Lett 20: 4080-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.078 BindingDB Entry DOI: 10.7270/Q2D79CCN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction | Bioorg Med Chem Lett 20: 4080-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.078 BindingDB Entry DOI: 10.7270/Q2D79CCN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells | J Med Chem 54: 382-6 (2011) Article DOI: 10.1021/jm100982d BindingDB Entry DOI: 10.7270/Q2N29XWF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 724 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells | J Med Chem 54: 382-6 (2011) Article DOI: 10.1021/jm100982d BindingDB Entry DOI: 10.7270/Q2N29XWF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM21123 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 190 | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding | J Med Chem 54: 382-6 (2011) Article DOI: 10.1021/jm100982d BindingDB Entry DOI: 10.7270/Q2N29XWF | |||||||||||
More data for this Ligand-Target Pair |