BDBM50179187 CHEMBL197183::ethyl 2-(2-(((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamido)methyl)-1H-benzo[d]imidazol-1-yl)acetate
SMILES: CCOC(=O)Cn1c(CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc2ccccc12
InChI Key: InChIKey=PZVVDRYHHWKNGZ-WNJJXGMVSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50179187 (CHEMBL197183 | ethyl 2-(2-(((S)-2-((S)-2-amino-3-(...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.120 | 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 II from rat delta opioid receptor in brain P2 synaptosomes | J Med Chem 48: 8112-4 (2005) Article DOI: 10.1021/jm058259l BindingDB Entry DOI: 10.7270/Q24J0DQR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50179187 (CHEMBL197183 | ethyl 2-(2-(((S)-2-((S)-2-amino-3-(...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.42 | 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 rat mu opioid receptor in brain P2 synaptosomes | J Med Chem 48: 8112-4 (2005) Article DOI: 10.1021/jm058259l BindingDB Entry DOI: 10.7270/Q24J0DQR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50179187 (CHEMBL197183 | ethyl 2-(2-(((S)-2-((S)-2-amino-3-(...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Functional bioactivity against mu opioid receptor in guinea-pig ileum | J Med Chem 48: 8112-4 (2005) Article DOI: 10.1021/jm058259l BindingDB Entry DOI: 10.7270/Q24J0DQR | |||||||||||
More data for this Ligand-Target Pair |