BDBM50000518 3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-4-methylsulfanyl-butyrylamino}-3-phenyl-propionylamino)-3-(3H-imidazol-4-yl)-propionylamino]-4-methyl-pentanoylamino}-4-methylsulfanyl-butyrylamino)-succinamic acid::3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-4-methylsulfanyl-butyrylamino}-3-phenyl-propionylamino)-3-(3H-imidazol-4-yl)-propionylamino]-4-methyl-pentanoylamino}-4-methylsulfanyl-butyrylamino)-succinamic acid (deltorphin A)::CHEMBL20775
SMILES: CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
InChI Key: InChIKey=BHSURCCZOBVHJJ-NWOHMYAQSA-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)) | BDBM50000518 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Environmental Health Sciences Curated by ChEMBL | Assay Description Binding affinity against Opioid receptor delta 1 in P2 membrane preparation of rat brain by [3H]DADLE displacement. | J Med Chem 34: 1350-5 (1991) BindingDB Entry DOI: 10.7270/Q2ZW1MHT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50000518 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Environmental Health Sciences Curated by ChEMBL | Assay Description Compound was tested for its binding affinity against opioid receptor delta using [3H]-DPDPE as radioligand. | J Med Chem 35: 1222-7 (1992) BindingDB Entry DOI: 10.7270/Q29P30K2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50000518 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Inhibition of [3H]- ]DSLET binding to delta receptor from rat brain membrane | J Med Chem 35: 3956-61 (1992) BindingDB Entry DOI: 10.7270/Q2H70DRH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50000518 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 143 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Inhibition of [3H]- ]DAMGO binding to mu receptor from rat brain membrane | J Med Chem 35: 3956-61 (1992) BindingDB Entry DOI: 10.7270/Q2H70DRH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50000518 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Inhibition of [3H]- ]DSLET binding to delta receptor from rat brain membrane | J Med Chem 35: 3956-61 (1992) BindingDB Entry DOI: 10.7270/Q2H70DRH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50000518 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 336 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Environmental Health Sciences Curated by ChEMBL | Assay Description Binding affinity against Opioid receptor mu 1 in P2 membrane preparation of rat brain by [3H]DAGO displacement. | J Med Chem 34: 1350-5 (1991) BindingDB Entry DOI: 10.7270/Q2ZW1MHT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50000518 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 344 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Environmental Health Sciences Curated by ChEMBL | Assay Description Compound was tested for its binding affinity against opioid receptor mu using [3H]-DAGO as radioligand. | J Med Chem 35: 1222-7 (1992) BindingDB Entry DOI: 10.7270/Q29P30K2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50000518 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 415 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Inhibition of [3H]- ]DAMGO binding to mu receptor from rat brain membrane | J Med Chem 35: 3956-61 (1992) BindingDB Entry DOI: 10.7270/Q2H70DRH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50000518 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Inhibition of [3H]- ]DSLET binding to opioid receptor delta from rat brain membrane | J Med Chem 35: 3956-61 (1992) BindingDB Entry DOI: 10.7270/Q2H70DRH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50000518 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 281 | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Inhibition of electrically evoked contractions in Guinea pig ileum | J Med Chem 35: 3956-61 (1992) BindingDB Entry DOI: 10.7270/Q2H70DRH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50000518 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Inhibition of electrically evoked contractions in Guinea pig ileum | J Med Chem 35: 3956-61 (1992) BindingDB Entry DOI: 10.7270/Q2H70DRH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50000518 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.695 | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Inhibition of electrically evoked contractions in mouse vas deferens | J Med Chem 35: 3956-61 (1992) BindingDB Entry DOI: 10.7270/Q2H70DRH | |||||||||||
More data for this Ligand-Target Pair |