BDBM50130603 13,22-dimethyl-2-[3-phenyl-(E)-2-propenyl]-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaen-16-ol::CHEMBL110461
SMILES: CN1CC[C@]23c4c5O[C@@]2(C)c2[nH]c6ccccc6c2C[C@@]3(C\C=C\c2ccccc2)C1Cc4ccc5O
InChI Key: InChIKey=VHAISVIZOZORLQ-TYSZLRMISA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50130603 (13,22-dimethyl-2-[3-phenyl-(E)-2-propenyl]-14-oxa-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Binding affinity for human Opioid receptor delta 1 transfected into chinese hamster ovary cells by displacing [3H]CI-DPDPE radioligand | J Med Chem 46: 3174-7 (2003) Article DOI: 10.1021/jm030801n BindingDB Entry DOI: 10.7270/Q2TH8NGD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50130603 (13,22-dimethyl-2-[3-phenyl-(E)-2-propenyl]-14-oxa-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Binding affinity for human Opioid receptor mu 1 transfected into chinese hamster ovary cells by displacing [3H]DAMGO radioligand | J Med Chem 46: 3174-7 (2003) Article DOI: 10.1021/jm030801n BindingDB Entry DOI: 10.7270/Q2TH8NGD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50130603 (13,22-dimethyl-2-[3-phenyl-(E)-2-propenyl]-14-oxa-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Binding affinity in recombinant human Opioid receptor kappa 1 transfected into chinese hamster ovary cells by displacing [3H]U-69593 radioligand | J Med Chem 46: 3174-7 (2003) Article DOI: 10.1021/jm030801n BindingDB Entry DOI: 10.7270/Q2TH8NGD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50130603 (13,22-dimethyl-2-[3-phenyl-(E)-2-propenyl]-14-oxa-...) | 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 | 22 | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Agonistic activity towards Opioid receptor delta 1 | J Med Chem 46: 3174-7 (2003) Article DOI: 10.1021/jm030801n BindingDB Entry DOI: 10.7270/Q2TH8NGD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50130603 (13,22-dimethyl-2-[3-phenyl-(E)-2-propenyl]-14-oxa-...) | 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 | 804 | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Effective concentration agonistic activity towards Opioid receptor mu 1 | J Med Chem 46: 3174-7 (2003) Article DOI: 10.1021/jm030801n BindingDB Entry DOI: 10.7270/Q2TH8NGD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50130603 (13,22-dimethyl-2-[3-phenyl-(E)-2-propenyl]-14-oxa-...) | 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 | 2.05E+3 | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Agonistic activity towards Opioid receptor kappa 1 | J Med Chem 46: 3174-7 (2003) Article DOI: 10.1021/jm030801n BindingDB Entry DOI: 10.7270/Q2TH8NGD | |||||||||||
More data for this Ligand-Target Pair |