BDBM50297293 (S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamido)-3-(4-hydroxyphenyl)propanoyl)pyrrolidine-2-carboxamido)-3-phenylpropanamido)-3-phenylpropanoate::CHEMBL563304
SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2[nH]1
InChI Key: InChIKey=JVFSODOWYPUPIV-QHDHUYINSA-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)) | BDBM50297293 ((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-1-((S)-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane | J Med Chem 52: 5556-9 (2009) Article DOI: 10.1021/jm900686q BindingDB Entry DOI: 10.7270/Q23X86PB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50297293 ((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-1-((S)-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane | J Med Chem 52: 5556-9 (2009) Article DOI: 10.1021/jm900686q BindingDB Entry DOI: 10.7270/Q23X86PB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50297293 ((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-1-((S)-...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Agonist activity at mu opioid receptor in Hartley guinea pig longitudinal muscle myenteric plexus assessed as inhibition of electrically evoked contr... | J Med Chem 52: 5556-9 (2009) Article DOI: 10.1021/jm900686q BindingDB Entry DOI: 10.7270/Q23X86PB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50297293 ((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-1-((S)-...) | 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 | 344 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked contraction | J Med Chem 52: 5556-9 (2009) Article DOI: 10.1021/jm900686q BindingDB Entry DOI: 10.7270/Q23X86PB | |||||||||||
More data for this Ligand-Target Pair |