BDBM50038422 (4S,7S,13S)-13-[(2S,3S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-butyrylamino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid::CHEMBL50284
SMILES: C[C@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1c(C)cc(O)cc1C
InChI Key: InChIKey=YQDQZNIFGIPRHF-FVGRXGBHSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Delta-type opioid receptor (MOUSE) | BDBM50038422 ((4S,7S,13S)-13-[(2S,3S)-2-Amino-3-(4-hydroxy-2,6-d...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 211 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Binding affinity opioid receptor | J Med Chem 37: 1746-57 (1994) BindingDB Entry DOI: 10.7270/Q2N58N1K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50038422 ((4S,7S,13S)-13-[(2S,3S)-2-Amino-3-(4-hydroxy-2,6-d...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 722 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Binding affinity opioid receptor | J Med Chem 37: 1746-57 (1994) BindingDB Entry DOI: 10.7270/Q2N58N1K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50038422 ((4S,7S,13S)-13-[(2S,3S)-2-Amino-3-(4-hydroxy-2,6-d...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 293 | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Effective concentration was measured towards mu opioid receptor using guinea pig ileum (GPI,mu) bioassay in vitro | J Med Chem 37: 1746-57 (1994) BindingDB Entry DOI: 10.7270/Q2N58N1K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50038422 ((4S,7S,13S)-13-[(2S,3S)-2-Amino-3-(4-hydroxy-2,6-d...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 168 | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Effective concentration was measured towards delta opioid receptor using mouse vas deferens(MVD, delta) bioassay in vitro | J Med Chem 37: 1746-57 (1994) BindingDB Entry DOI: 10.7270/Q2N58N1K | |||||||||||
More data for this Ligand-Target Pair |