BDBM50084127 (4S,7S,13S)-13-[(2S,3R)-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::CHEMBL150625
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-SLQMXCKYSA-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)) | BDBM50084127 ((4S,7S,13S)-13-[(2S,3R)-2-Amino-3-(4-hydroxy-2,6-d...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona Curated by ChEMBL | Assay Description Binding affinity was measured against Opioid receptor delta 1 using [3H]-p-Cl-DPDPE as radioligand. | J Med Chem 41: 4767-76 (1998) Article DOI: 10.1021/jm980374r BindingDB Entry DOI: 10.7270/Q2DZ07FQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50084127 ((4S,7S,13S)-13-[(2S,3R)-2-Amino-3-(4-hydroxy-2,6-d...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona Curated by ChEMBL | Assay Description Binding affinity was measured against Opioid receptor mu 1 using [3H]-DAMGO as radioligand. | J Med Chem 41: 4767-76 (1998) Article DOI: 10.1021/jm980374r BindingDB Entry DOI: 10.7270/Q2DZ07FQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50084127 ((4S,7S,13S)-13-[(2S,3R)-2-Amino-3-(4-hydroxy-2,6-d...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona Curated by ChEMBL | Assay Description In vitro inhibition of [3H]-DAMGO (Tyr-D-Ala-Gly-(Me)-Phe-Gly-ol) binding to Opioid receptor mu 1 using rat brain membranes | J Med Chem 42: 5359-68 (2000) BindingDB Entry DOI: 10.7270/Q23777XM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50084127 ((4S,7S,13S)-13-[(2S,3R)-2-Amino-3-(4-hydroxy-2,6-d...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona Curated by ChEMBL | Assay Description In vitro inhibition of [3H]-deltorphin binding to Opioid receptor delta 1 using rat brain membranes. | J Med Chem 42: 5359-68 (2000) BindingDB Entry DOI: 10.7270/Q23777XM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50084127 ((4S,7S,13S)-13-[(2S,3R)-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 | Article PubMed | n/a | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a |
The University of Arizona Curated by ChEMBL | Assay Description Tested for electrically induced smooth muscle contractions from mouse vas deferens expressed in delta opioid receptors | J Med Chem 41: 4767-76 (1998) Article DOI: 10.1021/jm980374r BindingDB Entry DOI: 10.7270/Q2DZ07FQ | |||||||||||
More data for this Ligand-Target Pair |