BDBM50060073 2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide::2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide::2-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-(2S)-propanoyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide::CHEMBL93041
SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(N)=O
InChI Key: InChIKey=RXAGYENDHOXBOY-OYKVQYDMSA-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)) | BDBM50060073 (2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Binding affinity for Opioid receptor delta 1 by displacement of [3H]- DPDPE | J Med Chem 40: 3100-8 (1997) Article DOI: 10.1021/jm9607663 BindingDB Entry DOI: 10.7270/Q2TD9Z1N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50060073 (2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Naples Curated by ChEMBL | Assay Description Inhibitory concentration against Opioid receptor delta 1 in mouse vas deferens using competition binding assay | Bioorg Med Chem Lett 10: 2745-8 (2000) BindingDB Entry DOI: 10.7270/Q25H7HF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50060073 (2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliary Curated by ChEMBL | Assay Description Binding affinity at Opioid receptor delta 1 using rat brain receptor (P2 synaptosome) assay | J Med Chem 45: 713-20 (2002) BindingDB Entry DOI: 10.7270/Q2639QFF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50060073 (2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 277 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Binding affinity for Opioid receptor mu 1 by displacement of [3H]- DAGO | J Med Chem 40: 3100-8 (1997) Article DOI: 10.1021/jm9607663 BindingDB Entry DOI: 10.7270/Q2TD9Z1N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50060073 (2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 277 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Naples Curated by ChEMBL | Assay Description Inhibition of guinea pig ileum Opioid receptor mu 1 | Bioorg Med Chem Lett 10: 2745-8 (2000) BindingDB Entry DOI: 10.7270/Q25H7HF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50060073 (2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliary Curated by ChEMBL | Assay Description Binding affinity for rat brain P2 synaptosome Opioid receptor mu 1 | J Med Chem 45: 713-20 (2002) BindingDB Entry DOI: 10.7270/Q2639QFF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50060073 (2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a |
University of Naples Curated by ChEMBL | Assay Description Negative logarithm of the molar concentration for agonist activity at Opioid receptor mu 1 was determined in guinea pig ileum | Bioorg Med Chem Lett 10: 2745-8 (2000) BindingDB Entry DOI: 10.7270/Q25H7HF1 | |||||||||||
More data for this Ligand-Target Pair |