BDBM50083164 (S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid adamantan-1-ylamide::CHEMBL148291
SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
InChI Key: InChIKey=VFBRUMHJLLKXHR-DYYFJMCXSA-N
Data: 5 KI
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)) | BDBM50083164 ((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.260 | 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 at Opioid receptor delta 1 from rat brain synaptosomal preparations by [3H]N,N-(Me)2-Dmt-Tic-OH displacement. | J Med Chem 42: 5010-9 (2000) BindingDB Entry DOI: 10.7270/Q2VX0FQG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50083164 ((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.760 | 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 at Opioid receptor mu 1 from rat brain synaptosomal preparations by [3H]-DAGO displacement. | J Med Chem 42: 5010-9 (2000) BindingDB Entry DOI: 10.7270/Q2VX0FQG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50083164 ((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.01 | 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 at Opioid receptor delta 1 from rat brain synaptosomal preparations by H-Dmt-Tic-OH displacement. | J Med Chem 42: 5010-9 (2000) BindingDB Entry DOI: 10.7270/Q2VX0FQG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50083164 ((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 Sydney Curated by ChEMBL | Assay Description Antagonist activity at DOR | Eur J Med Chem 46: 1949-63 (2011) Article DOI: 10.1016/j.ejmech.2011.01.047 BindingDB Entry DOI: 10.7270/Q22808QQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50083164 ((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney Curated by ChEMBL | Assay Description Antagonist activity at MOR | Eur J Med Chem 46: 1949-63 (2011) Article DOI: 10.1016/j.ejmech.2011.01.047 BindingDB Entry DOI: 10.7270/Q22808QQ | |||||||||||
More data for this Ligand-Target Pair |