BDBM50296867 (1S,13R)-10,22-dimethyl-10,22-diazahexacyclo[11.7.4.0^{1,13}.0^{3,11}.0^{4,9}.0^{14,19}]tetracosa-3(11),4(9),5,7,14(19),15,17-heptaen-16-ol::CHEMBL557937
SMILES: CN1CC[C@]23Cc4c(C[C@]2(Cc2ccc(O)cc32)C1)c1ccccc1n4C
InChI Key: InChIKey=WDTIJGFXRJTCSB-DNQXCXABSA-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)) | BDBM50296867 ((1S,13R)-10,22-dimethyl-10,22-diazahexacyclo[11.7....) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells | Bioorg Med Chem Lett 19: 4603-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.093 BindingDB Entry DOI: 10.7270/Q2WQ04RF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50296867 ((1S,13R)-10,22-dimethyl-10,22-diazahexacyclo[11.7....) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 268 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells | Bioorg Med Chem Lett 19: 4603-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.093 BindingDB Entry DOI: 10.7270/Q2WQ04RF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50296867 ((1S,13R)-10,22-dimethyl-10,22-diazahexacyclo[11.7....) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]U50488 from human kappa opioid receptor expressed in CHO cells | Bioorg Med Chem Lett 19: 4603-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.093 BindingDB Entry DOI: 10.7270/Q2WQ04RF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50296867 ((1S,13R)-10,22-dimethyl-10,22-diazahexacyclo[11.7....) | 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 | n/a | n/a | 174 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding by scintillation counting | Bioorg Med Chem Lett 19: 4603-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.093 BindingDB Entry DOI: 10.7270/Q2WQ04RF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50296867 ((1S,13R)-10,22-dimethyl-10,22-diazahexacyclo[11.7....) | 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 | n/a | n/a | 62 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]U50488 from human kappa opioid receptor expressed in CHO cells | Bioorg Med Chem Lett 19: 4603-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.093 BindingDB Entry DOI: 10.7270/Q2WQ04RF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50296867 ((1S,13R)-10,22-dimethyl-10,22-diazahexacyclo[11.7....) | 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 | n/a | n/a | 65 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding by scintillation counting | Bioorg Med Chem Lett 19: 4603-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.093 BindingDB Entry DOI: 10.7270/Q2WQ04RF | |||||||||||
More data for this Ligand-Target Pair |