BDBM50272081 2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid phenylcarbamoylmethyl-amide::CHEMBL501451::H-Dmt-Tic-Gly-NH-Ph
SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1ccccc1
InChI Key: InChIKey=JQERUKPESNWSQA-UIOOFZCWSA-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 (Homo sapiens (Human)) | BDBM50272081 (2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussels Curated by ChEMBL | Assay Description Binding affinity to delta opioid receptor | J Med Chem 49: 3990-3 (2006) Article DOI: 10.1021/jm0603264 BindingDB Entry DOI: 10.7270/Q2474BPW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50272081 (2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane | J Med Chem 51: 5109-17 (2008) Article DOI: 10.1021/jm800587e BindingDB Entry DOI: 10.7270/Q2DB81NR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50272081 (2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0420 | 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 (Homo sapiens (Human)) | BDBM50272081 (2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussels Curated by ChEMBL | Assay Description Binding affinity to mu opioid receptor | J Med Chem 49: 3990-3 (2006) Article DOI: 10.1021/jm0603264 BindingDB Entry DOI: 10.7270/Q2474BPW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50272081 (2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane | J Med Chem 51: 5109-17 (2008) Article DOI: 10.1021/jm800587e BindingDB Entry DOI: 10.7270/Q2DB81NR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50272081 (2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.160 | 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) | BDBM50272081 (2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussels Curated by ChEMBL | Assay Description Agonist activity at mu opioid receptor by guinea pig ileum assay | J Med Chem 49: 3990-3 (2006) Article DOI: 10.1021/jm0603264 BindingDB Entry DOI: 10.7270/Q2474BPW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50272081 (2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussels Curated by ChEMBL | Assay Description Agonist activity at delta opioid receptor by mouse vas deferens assay | J Med Chem 49: 3990-3 (2006) Article DOI: 10.1021/jm0603264 BindingDB Entry DOI: 10.7270/Q2474BPW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-opioid receptor (Cavia porcellus) | BDBM50272081 (2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.02 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Agonist activity at mu opioid receptor in Hartley guinea pig ileum myenteric plexus longitudinal muscle assessed as inhibition of electrically-stimul... | J Med Chem 51: 5109-17 (2008) Article DOI: 10.1021/jm800587e BindingDB Entry DOI: 10.7270/Q2DB81NR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50272081 (2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...) | 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 | 2.57 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction | J Med Chem 51: 5109-17 (2008) Article DOI: 10.1021/jm800587e BindingDB Entry DOI: 10.7270/Q2DB81NR | |||||||||||
More data for this Ligand-Target Pair |