BDBM50324023 (2S,5S,8R,11S,14S)-2-amino-14-((S)-1-((S)-1-(2-amino-2-oxoethylamino)-3-methyl-1-oxobutan-2-ylamino)-3-methyl-1-oxobutan-2-ylcarbamoyl)-11-benzyl-1-(4-hydroxy-2,6-dimethylphenyl)-5-(4-hydroxybenzyl)-8-methyl-3,6,9,12-tetraoxo-4,7,10,13-tetraazaheptadecan-17-oic acid::CHEMBL1213989
SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(C)C)C(=O)NCC(N)=O
InChI Key: InChIKey=UYLUQCREUVDEDF-RWVHMXOYSA-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)) | BDBM50324023 ((2S,5S,8R,11S,14S)-2-amino-14-((S)-1-((S)-1-(2-ami...) | 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]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane | Bioorg Med Chem 18: 6024-30 (2010) Article DOI: 10.1016/j.bmc.2010.06.073 BindingDB Entry DOI: 10.7270/Q2MG7PPX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50324023 ((2S,5S,8R,11S,14S)-2-amino-14-((S)-1-((S)-1-(2-ami...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.68 | 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 | Bioorg Med Chem 18: 6024-30 (2010) Article DOI: 10.1016/j.bmc.2010.06.073 BindingDB Entry DOI: 10.7270/Q2MG7PPX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50324023 ((2S,5S,8R,11S,14S)-2-amino-14-((S)-1-((S)-1-(2-ami...) | 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 | 0.320 | 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 deference | Bioorg Med Chem 18: 6024-30 (2010) Article DOI: 10.1016/j.bmc.2010.06.073 BindingDB Entry DOI: 10.7270/Q2MG7PPX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50324023 ((2S,5S,8R,11S,14S)-2-amino-14-((S)-1-((S)-1-(2-ami...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 48.2 | 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 small intestine | Bioorg Med Chem 18: 6024-30 (2010) Article DOI: 10.1016/j.bmc.2010.06.073 BindingDB Entry DOI: 10.7270/Q2MG7PPX | |||||||||||
More data for this Ligand-Target Pair |