BDBM50111906 (S)-1-[(S)-2-{2-[(R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-(2,6-dimethyl-phenyl)-propionylamino]-acetylamino}-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid ((S)-1-carbamoyl-2-hydroxy-ethyl)-amide::CHEMBL168110
SMILES: C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c(C)cccc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
InChI Key: InChIKey=OJIZXSLNRWQEAY-CATITNMPSA-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)) | BDBM50111906 ((S)-1-[(S)-2-{2-[(R)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University Curated by ChEMBL | Assay Description Binding affinity of the compound against Opioid receptor mu 1 using [3H]-DAMGO in rat brain synaptosomes was determined | Bioorg Med Chem Lett 12: 879-81 (2002) BindingDB Entry DOI: 10.7270/Q2X34WSM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50111906 ((S)-1-[(S)-2-{2-[(R)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University Curated by ChEMBL | Assay Description Binding affinity of the compound against Opioid receptor delta 1 using [3H]-DT in rat brain synaptosomes was determined | Bioorg Med Chem Lett 12: 879-81 (2002) BindingDB Entry DOI: 10.7270/Q2X34WSM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50111906 ((S)-1-[(S)-2-{2-[(R)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University Curated by ChEMBL | Assay Description In vitro biological activity by electrically induced smooth muscle contractions in guinea pig ileum (Opioid receptor mu 1); inhibitory concentration ... | Bioorg Med Chem Lett 12: 879-81 (2002) BindingDB Entry DOI: 10.7270/Q2X34WSM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50111906 ((S)-1-[(S)-2-{2-[(R)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 358 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University Curated by ChEMBL | Assay Description In vitro biological activity by electrically induced smooth muscle contractions in mouse vas deferens (Opioid receptor delta 1); inhibitory concentra... | Bioorg Med Chem Lett 12: 879-81 (2002) BindingDB Entry DOI: 10.7270/Q2X34WSM | |||||||||||
More data for this Ligand-Target Pair |