BDBM50199865 (S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-1-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)pyrrolidine-2-carboxamide::CHEMBL412923
SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI Key: InChIKey=GQKWRERWSHSLFH-MCEBTLFFSA-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)) | BDBM50199865 ((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain P2 synaptosome | Bioorg Med Chem 15: 1237-51 (2007) Article DOI: 10.1016/j.bmc.2006.11.019 BindingDB Entry DOI: 10.7270/Q2348K1F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50199865 ((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor in human SHSY5Y cells | Bioorg Med Chem 16: 6286-96 (2008) Article DOI: 10.1016/j.bmc.2008.04.020 BindingDB Entry DOI: 10.7270/Q2ZG6S2T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50199865 ((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane | Bioorg Med Chem 16: 6286-96 (2008) Article DOI: 10.1016/j.bmc.2008.04.020 BindingDB Entry DOI: 10.7270/Q2ZG6S2T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50199865 ((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from delta opioid receptor in rat brain membrane | Bioorg Med Chem 16: 6286-96 (2008) Article DOI: 10.1016/j.bmc.2008.04.020 BindingDB Entry DOI: 10.7270/Q2ZG6S2T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50199865 ((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University Curated by ChEMBL | Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor in rat brain P2 synaptosome | Bioorg Med Chem 15: 1237-51 (2007) Article DOI: 10.1016/j.bmc.2006.11.019 BindingDB Entry DOI: 10.7270/Q2348K1F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50199865 ((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel Curated by ChEMBL | Assay Description Agonist activity at human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay | J Med Chem 61: 9784-9789 (2018) Article DOI: 10.1021/acs.jmedchem.8b01282 BindingDB Entry DOI: 10.7270/Q2F76G8Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50199865 ((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Agonist activity at mu opioid receptor in human SHSY5Y cells assessed as inhibition of forskolin-stimulated cAMP production | Bioorg Med Chem 16: 6286-96 (2008) Article DOI: 10.1016/j.bmc.2008.04.020 BindingDB Entry DOI: 10.7270/Q2ZG6S2T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50199865 ((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | 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 |
Kobe Gakuin University Curated by ChEMBL | Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked muscle contractions | Bioorg Med Chem 15: 1237-51 (2007) Article DOI: 10.1016/j.bmc.2006.11.019 BindingDB Entry DOI: 10.7270/Q2348K1F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50199865 ((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University Curated by ChEMBL | Assay Description Agonist activity at mu opioid receptor in Hartley guinea pig intestine assessed as inhibition of electrically evoked myenteric plexus longitudinal mu... | Bioorg Med Chem 15: 1237-51 (2007) Article DOI: 10.1016/j.bmc.2006.11.019 BindingDB Entry DOI: 10.7270/Q2348K1F | |||||||||||
More data for this Ligand-Target Pair |