BDBM50130607 3-hydroxy-4-methoxy-17-methyl-18-[1-phenyl-(E)-ethylidene]-17-azapentacyclo[7.5.3.210,14.01,10.02,7]nonadeca-2(7),3,5-trien-13-one::CHEMBL110124
SMILES: COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34CCC5=O)=C(/C)c3ccccc3)c2c1O
InChI Key: InChIKey=LDDLOXPGPQDUOX-WYNUPRQPSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50130607 (3-hydroxy-4-methoxy-17-methyl-18-[1-phenyl-(E)-eth...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.140 | 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 | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50130607 (3-hydroxy-4-methoxy-17-methyl-18-[1-phenyl-(E)-eth...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.5 | 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 | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50130607 (3-hydroxy-4-methoxy-17-methyl-18-[1-phenyl-(E)-eth...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.70 | 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 | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50130607 (3-hydroxy-4-methoxy-17-methyl-18-[1-phenyl-(E)-eth...) | 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 | 72 | 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 | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50130607 (3-hydroxy-4-methoxy-17-methyl-18-[1-phenyl-(E)-eth...) | 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 | 3.40 | 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 | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50130607 (3-hydroxy-4-methoxy-17-methyl-18-[1-phenyl-(E)-eth...) | 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 | 15 | 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 |