BDBM50061295 (S)-2-{[(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7-(4-fluoro-benzyl)-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carbonyl]-amino}-3-phenyl-propionic acid::CHEMBL129252
SMILES: CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
InChI Key: InChIKey=YDHHDQMWNQDFHV-JONZOVCNSA-N
Data: 4 IC50
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 (MOUSE) | BDBM50061295 ((S)-2-{[(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Inhibitory potency against Opioid receptor mu 1 was determined in electrically induced strips of guinea pig ileum (GPI) | J Med Chem 40: 3957-62 (1998) Article DOI: 10.1021/jm9704762 BindingDB Entry DOI: 10.7270/Q23R0TJ7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50061295 ((S)-2-{[(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Inhibition of binding of radioligand [3H]CTOP to Opioid receptor mu 1 in rat brain | J Med Chem 40: 3957-62 (1998) Article DOI: 10.1021/jm9704762 BindingDB Entry DOI: 10.7270/Q23R0TJ7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Rattus norvegicus (rat)) | BDBM50061295 ((S)-2-{[(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Inhibition of binding of radioligand [3H][p-Cl-phe]-DPDPE to Opioid receptor delta 1 in rat brain | J Med Chem 40: 3957-62 (1998) Article DOI: 10.1021/jm9704762 BindingDB Entry DOI: 10.7270/Q23R0TJ7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50061295 ((S)-2-{[(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.0160 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Inhibitory potency against Opioid receptor delta 1 was determined in electrically induced smooth muscle contractions of mouse vas deferens (MVD) | J Med Chem 40: 3957-62 (1998) Article DOI: 10.1021/jm9704762 BindingDB Entry DOI: 10.7270/Q23R0TJ7 | |||||||||||
More data for this Ligand-Target Pair |