BDBM50139015 (S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [(S)-1-((1S,2S)-1-carbamoyl-2-phenyl-propylcarbamoyl)-2-phenyl-ethyl]-amide::CHEMBL436039
SMILES: C[C@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
InChI Key: InChIKey=XEDWKSFZTLIHLE-VRTFYRIBSA-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)) | BDBM50139015 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) | PDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | CHEMBL 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 |
University of Szeged Curated by ChEMBL | Assay Description Inhibition of DAMGO (Tyr-[D-Ala]-Gly-[NMe-Phe]-Gly-ol) binding to rat brain opioid receptor | J Med Chem 48: 3239-50 (2005) Article DOI: 10.1021/jm049157i BindingDB Entry DOI: 10.7270/Q28P601Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50139015 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) | PDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of the Hungarian Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]-endomorphin-2 from Opioid receptor mu 1 of rat brain membranes | J Med Chem 47: 735-43 (2004) Article DOI: 10.1021/jm0310028 BindingDB Entry DOI: 10.7270/Q2J965TS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50139015 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) | PDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of the Hungarian Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]-DAMGO from Opioid receptor mu 1 of rat brain membranes | J Med Chem 47: 735-43 (2004) Article DOI: 10.1021/jm0310028 BindingDB Entry DOI: 10.7270/Q2J965TS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50139015 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) | PDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Szeged Curated by ChEMBL | Assay Description Inhibition of DAMGO (Tyr-[D-Ala]-Gly-[NMe-Phe]-Gly-ol) binding to rat brain mu opioid receptor | J Med Chem 48: 3239-50 (2005) Article DOI: 10.1021/jm049157i BindingDB Entry DOI: 10.7270/Q28P601Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Rattus norvegicus (rat)) | BDBM50139015 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) | PDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 11.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of the Hungarian Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]-Dynorphin A from Opioid receptor kappa 1 of rat brain membranes (DAMGO/DADLE quenching of mu/delta receptor binding) | J Med Chem 47: 735-43 (2004) Article DOI: 10.1021/jm0310028 BindingDB Entry DOI: 10.7270/Q2J965TS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50139015 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) | PDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of the Hungarian Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]Ile5,6-deltorphin II from opioid receptor delta 1 of rat brain membranes | J Med Chem 47: 735-43 (2004) Article DOI: 10.1021/jm0310028 BindingDB Entry DOI: 10.7270/Q2J965TS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50139015 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) | PDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.15 | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of the Hungarian Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of Mu opioid receptor of mouse vas deferens | J Med Chem 47: 735-43 (2004) Article DOI: 10.1021/jm0310028 BindingDB Entry DOI: 10.7270/Q2J965TS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50139015 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) | B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.46 | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of the Hungarian Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of Opioid receptor mu 1 of guinea pig ileum | J Med Chem 47: 735-43 (2004) Article DOI: 10.1021/jm0310028 BindingDB Entry DOI: 10.7270/Q2J965TS | |||||||||||
More data for this Ligand-Target Pair |