BDBM50292919 17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy-6alpha-[(3'-isoquinolyl)acetamido]morphinan::CHEMBL522201
SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cc2ccccc2cn1
InChI Key: InChIKey=IZOHFCRCMJBTBF-YSAQZOOCSA-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)) | BDBM50292919 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Displacement of [3H]naloxone from monocloned mu opioid receptor expressed in CHO cells | J Med Chem 52: 1416-27 (2010) Article DOI: 10.1021/jm801272c BindingDB Entry DOI: 10.7270/Q2416XZ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu and delta (MOUSE) | BDBM50292919 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cells after 1.5 hrs | Bioorg Med Chem Lett 23: 5045-8 (2013) Article DOI: 10.1016/j.bmcl.2013.07.043 BindingDB Entry DOI: 10.7270/Q2H41VC9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50292919 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay | Bioorg Med Chem 23: 1701-15 (2015) Article DOI: 10.1016/j.bmc.2015.02.055 BindingDB Entry DOI: 10.7270/Q2PK0HTN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50292919 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Binding affinity to wild type MOR (unknown origin) expressed in CHO cells after 15 mins by Ca2+ mobilization assay | Bioorg Med Chem 21: 6405-13 (2013) Article DOI: 10.1016/j.bmc.2013.08.042 BindingDB Entry DOI: 10.7270/Q2QC06F7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Mus musculus (Mouse)) | BDBM50292919 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay | Bioorg Med Chem 23: 1701-15 (2015) Article DOI: 10.1016/j.bmc.2015.02.055 BindingDB Entry DOI: 10.7270/Q2PK0HTN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Mus musculus (Mouse)) | BDBM50292919 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cells after 1.5 hrs | Bioorg Med Chem Lett 23: 5045-8 (2013) Article DOI: 10.1016/j.bmcl.2013.07.043 BindingDB Entry DOI: 10.7270/Q2H41VC9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50292919 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Displacement of [3H]norBNI from monocloned kappa opioid receptor expressed in CHO cells | J Med Chem 52: 1416-27 (2010) Article DOI: 10.1021/jm801272c BindingDB Entry DOI: 10.7270/Q2416XZ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50292919 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 133 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Displacement of [3H]NTI from monocloned delta opioid receptor expressed in CHO cells | J Med Chem 52: 1416-27 (2010) Article DOI: 10.1021/jm801272c BindingDB Entry DOI: 10.7270/Q2416XZ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu and delta (MOUSE) | BDBM50292919 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 162 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Displacement of [3H]-naltrindole from mouse delta opioid receptor expressed in CHO cells after 1.5 hrs | Bioorg Med Chem Lett 23: 5045-8 (2013) Article DOI: 10.1016/j.bmcl.2013.07.043 BindingDB Entry DOI: 10.7270/Q2H41VC9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50292919 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 162 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Displacement of [3H]naltrindole from mouse DOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay | Bioorg Med Chem 23: 1701-15 (2015) Article DOI: 10.1016/j.bmc.2015.02.055 BindingDB Entry DOI: 10.7270/Q2PK0HTN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50292919 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Binding affinity to wild type mu opioid receptor expressed in CHO cells | J Med Chem 52: 1416-27 (2010) Article DOI: 10.1021/jm801272c BindingDB Entry DOI: 10.7270/Q2416XZ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50292919 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Antagonist activity at MOR (unknown origin) assessed as inhibition of DAMGO-induced agonism | Bioorg Med Chem 21: 6405-13 (2013) Article DOI: 10.1016/j.bmc.2013.08.042 BindingDB Entry DOI: 10.7270/Q2QC06F7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50292919 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Stimulation of mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay | Bioorg Med Chem 23: 1701-15 (2015) Article DOI: 10.1016/j.bmc.2015.02.055 BindingDB Entry DOI: 10.7270/Q2PK0HTN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu and delta (MOUSE) | BDBM50292919 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Agonist activity at mouse mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding after 1.5 hrs | Bioorg Med Chem Lett 23: 5045-8 (2013) Article DOI: 10.1016/j.bmcl.2013.07.043 BindingDB Entry DOI: 10.7270/Q2H41VC9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Mus musculus (Mouse)) | BDBM50292919 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Agonist activity at mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay | Bioorg Med Chem 23: 1701-15 (2015) Article DOI: 10.1016/j.bmc.2015.02.055 BindingDB Entry DOI: 10.7270/Q2PK0HTN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50292919 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Binding affinity to wild type MOR (unknown origin) expressed in CHO cells after 15 mins by Ca2+ mobilization assay | Bioorg Med Chem 21: 6405-13 (2013) Article DOI: 10.1016/j.bmc.2013.08.042 BindingDB Entry DOI: 10.7270/Q2QC06F7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50292919 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 4.40 | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Activity at monocloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay | J Med Chem 52: 1416-27 (2010) Article DOI: 10.1021/jm801272c BindingDB Entry DOI: 10.7270/Q2416XZ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50292919 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 99 | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Agonist activity at mouse DOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay | Bioorg Med Chem 23: 1701-15 (2015) Article DOI: 10.1016/j.bmc.2015.02.055 BindingDB Entry DOI: 10.7270/Q2PK0HTN | |||||||||||
More data for this Ligand-Target Pair |