BDBM50199861 (S)-1-((S)-2-(allylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide::CHEMBL412922
SMILES: Cc1cc(O)cc(C)c1C[C@H](NCC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI Key: InChIKey=PBEKHMJUJBBTHM-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50199861 ((S)-1-((S)-2-(allylamino)-3-(4-hydroxy-2,6-dimethy...) | 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 |
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 | |||||||||||||
Delta-type opioid receptor (Rattus norvegicus (rat)) | BDBM50199861 ((S)-1-((S)-2-(allylamino)-3-(4-hydroxy-2,6-dimethy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 560 | 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 (GUINEA PIG) | BDBM50199861 ((S)-1-((S)-2-(allylamino)-3-(4-hydroxy-2,6-dimethy...) | UniProtKB/SwissProt 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 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 | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50199861 ((S)-1-((S)-2-(allylamino)-3-(4-hydroxy-2,6-dimethy...) | 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 |