BDBM50176702 (S)-2-amino-N-{(4S,10S,15S,21S)-21-[(S)-2-amino-3-(4-hydroxy-phenyl)-propionylamino]-10,15-dibenzyl-5,8,11,14,17,20-hexaoxo-1,2-dithia-6,9,12,13,16,19-hexaaza-cyclodocos-4-yl}-3-(4-hydroxy-phenyl)-propionamide::CHEMBL200129
SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
InChI Key: InChIKey=IVZGEIYAIJCDDR-AEKIIXOMSA-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)) | BDBM50176702 ((S)-2-amino-N-{(4S,10S,15S,21S)-21-[(S)-2-amino-3-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL | Assay Description Displacement of [3H]lleDelt2 from DOR in Wistar rat whole brain membranes after 45 mins by liquid scintillation counting method | ACS Med Chem Lett 8: 858-863 (2017) Article DOI: 10.1021/acsmedchemlett.7b00210 BindingDB Entry DOI: 10.7270/Q2S1853J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50176702 ((S)-2-amino-N-{(4S,10S,15S,21S)-21-[(S)-2-amino-3-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from MOR in Wistar rat whole brain membranes after 45 mins by liquid scintillation counting method | ACS Med Chem Lett 8: 858-863 (2017) Article DOI: 10.1021/acsmedchemlett.7b00210 BindingDB Entry DOI: 10.7270/Q2S1853J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50176702 ((S)-2-amino-N-{(4S,10S,15S,21S)-21-[(S)-2-amino-3-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Agonistic efficacy at rat mu opioid receptor by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 16: 367-72 (2005) Article DOI: 10.1016/j.bmcl.2005.09.080 BindingDB Entry DOI: 10.7270/Q24X57BF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50176702 ((S)-2-amino-N-{(4S,10S,15S,21S)-21-[(S)-2-amino-3-...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Activity at mu opioid receptor in longitudinal muscle myenteric plexus from guinea pig ileum | Bioorg Med Chem Lett 16: 367-72 (2005) Article DOI: 10.1016/j.bmcl.2005.09.080 BindingDB Entry DOI: 10.7270/Q24X57BF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50176702 ((S)-2-amino-N-{(4S,10S,15S,21S)-21-[(S)-2-amino-3-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor | Bioorg Med Chem Lett 16: 367-72 (2005) Article DOI: 10.1016/j.bmcl.2005.09.080 BindingDB Entry DOI: 10.7270/Q24X57BF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50176702 ((S)-2-amino-N-{(4S,10S,15S,21S)-21-[(S)-2-amino-3-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.870 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Agonistic efficacy at human delta opioid receptor by [35S]GTP-gammaS binding assay | Bioorg Med Chem Lett 16: 367-72 (2005) Article DOI: 10.1016/j.bmcl.2005.09.080 BindingDB Entry DOI: 10.7270/Q24X57BF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50176702 ((S)-2-amino-N-{(4S,10S,15S,21S)-21-[(S)-2-amino-3-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.870 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Displacement of [3H]DPDPE from delta opioid receptor | Bioorg Med Chem Lett 16: 367-72 (2005) Article DOI: 10.1016/j.bmcl.2005.09.080 BindingDB Entry DOI: 10.7270/Q24X57BF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50176702 ((S)-2-amino-N-{(4S,10S,15S,21S)-21-[(S)-2-amino-3-...) | 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 | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Activity at delta opioid receptor in mouse vas deferens | Bioorg Med Chem Lett 16: 367-72 (2005) Article DOI: 10.1016/j.bmcl.2005.09.080 BindingDB Entry DOI: 10.7270/Q24X57BF | |||||||||||
More data for this Ligand-Target Pair |