BDBM50299217 (5R,8S,11S,14S)-14-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-8,11-dibenzyl-7,10,13-trioxo-1,3-dithia-6,9,12-triazacyclopentadecane-5-carboxamide::CHEMBL583066
SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
InChI Key: InChIKey=KZEWGAHUIUQCHU-MYHRABSESA-N
Data: 6 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50299217 ((5R,8S,11S,14S)-14-((S)-2-amino-3-(4-hydroxyphenyl...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania Curated by ChEMBL | Assay Description Binding affinity at mu opioid receptor (unknown origin) | Eur J Med Chem 108: 211-28 (2016) BindingDB Entry DOI: 10.7270/Q2R2137W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50299217 ((5R,8S,11S,14S)-14-((S)-2-amino-3-(4-hydroxyphenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cells after 1 hr by liquid scintillation counting | J Med Chem 52: 7724-31 (2009) Article DOI: 10.1021/jm9007483 BindingDB Entry DOI: 10.7270/Q2GQ6XTD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50299217 ((5R,8S,11S,14S)-14-((S)-2-amino-3-(4-hydroxyphenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania Curated by ChEMBL | Assay Description Binding affinity at delta opioid receptor (unknown origin) | Eur J Med Chem 108: 211-28 (2016) BindingDB Entry DOI: 10.7270/Q2R2137W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50299217 ((5R,8S,11S,14S)-14-((S)-2-amino-3-(4-hydroxyphenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cells after 1 hr by liquid scintillation counting | J Med Chem 52: 7724-31 (2009) Article DOI: 10.1021/jm9007483 BindingDB Entry DOI: 10.7270/Q2GQ6XTD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50299217 ((5R,8S,11S,14S)-14-((S)-2-amino-3-(4-hydroxyphenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting | J Med Chem 52: 7724-31 (2009) Article DOI: 10.1021/jm9007483 BindingDB Entry DOI: 10.7270/Q2GQ6XTD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50299217 ((5R,8S,11S,14S)-14-((S)-2-amino-3-(4-hydroxyphenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania Curated by ChEMBL | Assay Description Binding affinity to kappa opioid receptor (unknown origin) | Eur J Med Chem 108: 211-28 (2016) BindingDB Entry DOI: 10.7270/Q2R2137W | |||||||||||
More data for this Ligand-Target Pair |