BDBM50101610 2-Amino-1-{3-[(2,2-dimethyl-propylamino)-methyl]-3,4-dihydro-1H-isoquinolin-2-yl}-3-(4-hydroxy-2,6-dimethyl-phenyl)-propan-1-one::CHEMBL76573
SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCC(C)(C)C
InChI Key: InChIKey=LSZXSXIVNDQCSM-URXFXBBRSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50101610 (2-Amino-1-{3-[(2,2-dimethyl-propylamino)-methyl]-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal Curated by ChEMBL | Assay Description Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1 | J Med Chem 44: 2387-90 (2001) BindingDB Entry DOI: 10.7270/Q25B01RW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50101610 (2-Amino-1-{3-[(2,2-dimethyl-propylamino)-methyl]-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal Curated by ChEMBL | Assay Description Agonist potency using GTP-gamma [35S]- binding assay for delta-opioid receptor | J Med Chem 44: 2387-90 (2001) BindingDB Entry DOI: 10.7270/Q25B01RW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50101610 (2-Amino-1-{3-[(2,2-dimethyl-propylamino)-methyl]-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal Curated by ChEMBL | Assay Description Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1 | J Med Chem 44: 2387-90 (2001) BindingDB Entry DOI: 10.7270/Q25B01RW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50101610 (2-Amino-1-{3-[(2,2-dimethyl-propylamino)-methyl]-3...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal Curated by ChEMBL | Assay Description Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor | J Med Chem 44: 2387-90 (2001) BindingDB Entry DOI: 10.7270/Q25B01RW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50101610 (2-Amino-1-{3-[(2,2-dimethyl-propylamino)-methyl]-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.990 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal Curated by ChEMBL | Assay Description Binding affinity at cloned human delta-opioid receptor | J Med Chem 44: 2387-90 (2001) BindingDB Entry DOI: 10.7270/Q25B01RW | |||||||||||
More data for this Ligand-Target Pair |