BDBM50096714 2-[2-(2-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionylamino]-propionylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid amide::CHEMBL326235
SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O
InChI Key: InChIKey=WMBSVQVYXVGKHV-CGIBELHQSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50096714 (2-[2-(2-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.322 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Tested for binding affinity towards Opioid receptor delta 1 in rat and guinea pig brain membrane binding assays | Bioorg Med Chem Lett 11: 323-5 (2001) BindingDB Entry DOI: 10.7270/Q290231V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50096714 (2-[2-(2-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phen...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.492 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Tested for binding affinity towards Opioid receptor mu 1 in rat and guinea pig brain membrane binding assays | Bioorg Med Chem Lett 11: 323-5 (2001) BindingDB Entry DOI: 10.7270/Q290231V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50096714 (2-[2-(2-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Tested for binding affinity towards Opioid receptor kappa 1 | Bioorg Med Chem Lett 11: 323-5 (2001) BindingDB Entry DOI: 10.7270/Q290231V | |||||||||||
More data for this Ligand-Target Pair |