BDBM50061061 (4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[2,3-g]isoquinoline-2-carboxylic acid diethylamide::CHEMBL100729
SMILES: CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC)C[C@@H]3Cc2c1C)c1cccc(O)c1
InChI Key: InChIKey=LCXJNOQXEGZLDX-UQBPGWFLSA-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) | BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates | Bioorg Med Chem Lett 7: 2967-2972 (1997) Article DOI: 10.1016/S0960-894X(97)10119-6 BindingDB Entry DOI: 10.7270/Q26110VD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates | Bioorg Med Chem Lett 7: 2967-2972 (1997) Article DOI: 10.1016/S0960-894X(97)10119-6 BindingDB Entry DOI: 10.7270/Q26110VD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham S.p.A. Curated by ChEMBL | Assay Description Binding affinity against Opioid receptor delta 1 using [3H][D-Ala2, D-Leu5]-enkephalin as radioligand | J Med Chem 40: 3192-8 (1997) Article DOI: 10.1021/jm9608218 BindingDB Entry DOI: 10.7270/Q29C6Z3D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | 129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor | Bioorg Med Chem Lett 7: 2967-2972 (1997) Article DOI: 10.1016/S0960-894X(97)10119-6 BindingDB Entry DOI: 10.7270/Q26110VD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | 407 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor | Bioorg Med Chem Lett 7: 2967-2972 (1997) Article DOI: 10.1016/S0960-894X(97)10119-6 BindingDB Entry DOI: 10.7270/Q26110VD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 407 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham S.p.A. Curated by ChEMBL | Assay Description Binding affinity against Opioid receptor mu 1 using [3H][D-Ala2, MePhe4, Gly-ol5]-enkephalin as radioligand | J Med Chem 40: 3192-8 (1997) Article DOI: 10.1021/jm9608218 BindingDB Entry DOI: 10.7270/Q29C6Z3D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Mus musculus (Mouse)) | BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor | Bioorg Med Chem Lett 7: 2967-2972 (1997) Article DOI: 10.1016/S0960-894X(97)10119-6 BindingDB Entry DOI: 10.7270/Q26110VD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Mus musculus (Mouse)) | BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham S.p.A. Curated by ChEMBL | Assay Description Binding affinity against Opioid receptor kappa 1 using [3H]-U-69,593 as radioligand | J Med Chem 40: 3192-8 (1997) Article DOI: 10.1021/jm9608218 BindingDB Entry DOI: 10.7270/Q29C6Z3D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Mus musculus (Mouse)) | BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | 1.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity against Kappa opioid receptor using [3H]U-69593 radioligand in mouse brain homogenates | Bioorg Med Chem Lett 7: 2967-2972 (1997) Article DOI: 10.1016/S0960-894X(97)10119-6 BindingDB Entry DOI: 10.7270/Q26110VD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Mus musculus (Mouse)) | BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | 1.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity against Kappa opioid receptor using [3H]U-69593 radioligand in mouse brain homogenates | Bioorg Med Chem Lett 7: 2967-2972 (1997) Article DOI: 10.1016/S0960-894X(97)10119-6 BindingDB Entry DOI: 10.7270/Q26110VD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | 3.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates | Bioorg Med Chem Lett 7: 2967-2972 (1997) Article DOI: 10.1016/S0960-894X(97)10119-6 BindingDB Entry DOI: 10.7270/Q26110VD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates | Bioorg Med Chem Lett 7: 2967-2972 (1997) Article DOI: 10.1016/S0960-894X(97)10119-6 BindingDB Entry DOI: 10.7270/Q26110VD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham S.p.A. Curated by ChEMBL | Assay Description Binding affinity against Opioid receptor mu 1 using [3H][D-Ala2, MePhe4, Gly-ol5]-enkephalin as radioligand | J Med Chem 40: 3192-8 (1997) Article DOI: 10.1021/jm9608218 BindingDB Entry DOI: 10.7270/Q29C6Z3D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Mus musculus (Mouse)) | BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 6.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham S.p.A. Curated by ChEMBL | Assay Description Binding affinity against Opioid receptor kappa 1 using [3H]-U-69,593 as radioligand | J Med Chem 40: 3192-8 (1997) Article DOI: 10.1021/jm9608218 BindingDB Entry DOI: 10.7270/Q29C6Z3D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham S.p.A. Curated by ChEMBL | Assay Description In vitro agonist activity for Opioid receptor delta 1 was determined in a mouse vas deferens assay | J Med Chem 40: 3192-8 (1997) Article DOI: 10.1021/jm9608218 BindingDB Entry DOI: 10.7270/Q29C6Z3D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham S.p.A. Curated by ChEMBL | Assay Description In vitro antagonist activity against Opioid receptor delta 1 in the presence of 30 nM naltrindole, in a mouse vas deferens assay | J Med Chem 40: 3192-8 (1997) Article DOI: 10.1021/jm9608218 BindingDB Entry DOI: 10.7270/Q29C6Z3D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50061061 ((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 462 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham S.p.A. Curated by ChEMBL | Assay Description Inv itro antagonist activity against Opioid receptor delta 1 in the presence of 30 nM naltrindole, in a mouse vas deferens assay | J Med Chem 40: 3192-8 (1997) Article DOI: 10.1021/jm9608218 BindingDB Entry DOI: 10.7270/Q29C6Z3D | |||||||||||
More data for this Ligand-Target Pair |