BDBM50125996 (R)-2-[(S)-2-Amino-3-(2,6-dimethyl-phenyl)-propionylamino]-5-guanidino-pentanoic acid [(S)-1-(2-carbamoyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide::CHEMBL280178
SMILES: Cc1cccc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O
InChI Key: InChIKey=GKYITRXFIIFDSO-VXNXHJTFSA-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)) | BDBM50125996 ((R)-2-[(S)-2-Amino-3-(2,6-dimethyl-phenyl)-propion...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0623 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University Curated by ChEMBL | Assay Description Ability of the compound to displace [3H]-DAMGO from mu opioid receptor | Bioorg Med Chem Lett 13: 1269-72 (2003) BindingDB Entry DOI: 10.7270/Q2XS5TQ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50125996 ((R)-2-[(S)-2-Amino-3-(2,6-dimethyl-phenyl)-propion...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.57E+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 Ability of the compound to displace [3H]-deltorphin II from delta opioid receptor | Bioorg Med Chem Lett 13: 1269-72 (2003) BindingDB Entry DOI: 10.7270/Q2XS5TQ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50125996 ((R)-2-[(S)-2-Amino-3-(2,6-dimethyl-phenyl)-propion...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 188 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University Curated by ChEMBL | Assay Description Ability of the compound to inhibit electrically induced contractions of mouse vas deferens having delta opioid receptors tested in vitro | Bioorg Med Chem Lett 13: 1269-72 (2003) BindingDB Entry DOI: 10.7270/Q2XS5TQ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50125996 ((R)-2-[(S)-2-Amino-3-(2,6-dimethyl-phenyl)-propion...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University Curated by ChEMBL | Assay Description Ability of the compound to inhibit electrically induced contractions of guinea pig ileum having mu opioid receptors tested in vitro | Bioorg Med Chem Lett 13: 1269-72 (2003) BindingDB Entry DOI: 10.7270/Q2XS5TQ5 | |||||||||||
More data for this Ligand-Target Pair |