BDBM50290872 (-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a-octahydropyrido[3,4-b]acridin-4a-yl)phenol::3-((4aS,12aR)-2-Methyl-1,3,4,5,12,12a-hexahydro-2H-2,6-diaza-naphthacen-4a-yl)-phenol::CHEMBL327745::SB-213698::TAN-67::Tan-67 (racemic)
SMILES: CN1CC[C@@]2(Cc3nc4ccccc4cc3C[C@H]2C1)c1cccc(O)c1
InChI Key: InChIKey=LEPBHAAYNPPRRA-WMZHIEFXSA-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 (MOUSE) | BDBM50290872 ((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates | Bioorg Med Chem Lett 7: 2967-2972 (1997) Article DOI: 10.1016/S0960-894X(97)10119-6 BindingDB Entry DOI: 10.7270/Q26110VD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50290872 ((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Displacement of [3H]DADLE from delta opioid receptor in rat cerebellum membrane | Bioorg Med Chem Lett 19: 2792-5 (2009) Article DOI: 10.1016/j.bmcl.2009.03.099 BindingDB Entry DOI: 10.7270/Q24F1RPS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50290872 ((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Displacement of [3H]DADLE from delta opioid receptor in rat cerebrum membranes | Bioorg Med Chem 20: 949-61 (2012) Article DOI: 10.1016/j.bmc.2011.11.047 BindingDB Entry DOI: 10.7270/Q2H995MX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50290872 ((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain membranes | Bioorg Med Chem Lett 20: 6302-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.083 BindingDB Entry DOI: 10.7270/Q2G73DZ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50290872 ((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article | 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor | Bioorg Med Chem Lett 7: 2967-2972 (1997) Article DOI: 10.1016/S0960-894X(97)10119-6 BindingDB Entry DOI: 10.7270/Q26110VD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50290872 ((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 284 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat cerebrum membranes | Bioorg Med Chem 20: 949-61 (2012) Article DOI: 10.1016/j.bmc.2011.11.047 BindingDB Entry DOI: 10.7270/Q2H995MX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50290872 ((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 284 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat cerebellum membrane | Bioorg Med Chem Lett 19: 2792-5 (2009) Article DOI: 10.1016/j.bmcl.2009.03.099 BindingDB Entry DOI: 10.7270/Q24F1RPS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50290872 ((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 284 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain membranes | Bioorg Med Chem Lett 20: 6302-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.083 BindingDB Entry DOI: 10.7270/Q2G73DZ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Mus musculus (Mouse)) | BDBM50290872 ((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article | 312 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity against Kappa opioid receptor using [3H]U-69593 radioligand in mouse brain homogenates | Bioorg Med Chem Lett 7: 2967-2972 (1997) Article DOI: 10.1016/S0960-894X(97)10119-6 BindingDB Entry DOI: 10.7270/Q26110VD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50290872 ((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 732 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig cerebellum | Bioorg Med Chem Lett 19: 2792-5 (2009) Article DOI: 10.1016/j.bmcl.2009.03.099 BindingDB Entry DOI: 10.7270/Q24F1RPS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50290872 ((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 732 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebellum membranes | Bioorg Med Chem Lett 20: 6302-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.083 BindingDB Entry DOI: 10.7270/Q2G73DZ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50290872 ((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 733 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebrum membranes | Bioorg Med Chem 20: 949-61 (2012) Article DOI: 10.1016/j.bmc.2011.11.047 BindingDB Entry DOI: 10.7270/Q2H995MX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50290872 ((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Agonist activity at human recombinant delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 19: 2792-5 (2009) Article DOI: 10.1016/j.bmcl.2009.03.099 BindingDB Entry DOI: 10.7270/Q24F1RPS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mas-related G protein-coupled receptor X2 (MRGPRX2) (Homo sapiens (Human)) | BDBM50290872 ((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.80E+3 | n/a | n/a | 7.4 | 30 |
University of North Carolina | Assay Description HTLA cells (HEK-T cells stably expressing a β-arrestin2-TEV fusion protein and a tTa-dependent luciferase reporter) were maintained in DMEM (Cor... | Nat Chem Biol 13: 529-536 (2017) Article DOI: 10.1038/nchembio.2334 BindingDB Entry DOI: 10.7270/Q20R9N82 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50290872 ((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Agonist activity at human recombinant delta opioid receptor expressed in human HEK293 cells by [35S]GTPgammaS binding assay | Bioorg Med Chem 20: 949-61 (2012) Article DOI: 10.1016/j.bmc.2011.11.047 BindingDB Entry DOI: 10.7270/Q2H995MX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mas-related G protein-coupled receptor X2 (MRGPRX2) (Homo sapiens (Human)) | BDBM50290872 ((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 650 | n/a | n/a | 7.4 | 30 |
University of North Carolina | Assay Description MRGPRX2 stable cells were maintained in DMEM containing 10% FBS, 100 μg/ml hygromycin B, and 15 μg/ml blasticidin. For the calcium mobiliza... | Nat Chem Biol 13: 529-536 (2017) Article DOI: 10.1038/nchembio.2334 BindingDB Entry DOI: 10.7270/Q20R9N82 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50290872 ((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Agonist activity at human recombinant delta opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 19: 2792-5 (2009) Article DOI: 10.1016/j.bmcl.2009.03.099 BindingDB Entry DOI: 10.7270/Q24F1RPS | |||||||||||
More data for this Ligand-Target Pair |