BDBM50076009 16-[1-hydroxy-1,2,2-trimethyl-(1R)-propyl]-15-methoxy-3-methyl-(1S,14R,15R)-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-11-ol::CHEMBL169552
SMILES: CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45
InChI Key: InChIKey=APFIBTMKZJWVHH-LKUYZAFPSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50076009 (16-[1-hydroxy-1,2,2-trimethyl-(1R)-propyl]-15-meth...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Binding affinity towards human mu opioid receptor in CHO cells using [3H]- DAMGO as radioligand | Bioorg Med Chem Lett 9: 831-4 (1999) BindingDB Entry DOI: 10.7270/Q2FT8MJK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50076009 (16-[1-hydroxy-1,2,2-trimethyl-(1R)-propyl]-15-meth...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Binding affinity towards human delta opioid receptor in CHO cells using [3H]- CI-DPDPE as radioligand | Bioorg Med Chem Lett 9: 831-4 (1999) BindingDB Entry DOI: 10.7270/Q2FT8MJK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50076009 (16-[1-hydroxy-1,2,2-trimethyl-(1R)-propyl]-15-meth...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Binding affinity towards human kappa opioid receptor in CHO cells using [3H]- U-69,593 as radioligand | Bioorg Med Chem Lett 9: 831-4 (1999) BindingDB Entry DOI: 10.7270/Q2FT8MJK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50076009 (16-[1-hydroxy-1,2,2-trimethyl-(1R)-propyl]-15-meth...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Activity was evaluated in human kappa opioid receptors transfected with CHO cells by [35S]GTP-gamma-S, assay | Bioorg Med Chem Lett 9: 831-4 (1999) BindingDB Entry DOI: 10.7270/Q2FT8MJK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50076009 (16-[1-hydroxy-1,2,2-trimethyl-(1R)-propyl]-15-meth...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Activity was evaluated in human delta opioid receptors transfected with CHO cells by [35S]GTP-gamma-S, assay | Bioorg Med Chem Lett 9: 831-4 (1999) BindingDB Entry DOI: 10.7270/Q2FT8MJK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50076009 (16-[1-hydroxy-1,2,2-trimethyl-(1R)-propyl]-15-meth...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Activity was evaluated in human delta opioid receptors transfected with CHO cells by [35S]GTP-gamma-S, assay | Bioorg Med Chem Lett 9: 831-4 (1999) BindingDB Entry DOI: 10.7270/Q2FT8MJK | |||||||||||
More data for this Ligand-Target Pair |