BDBM50274347 (2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]-3-(furan-3-yl)-N-methylprop-2-enamide hydrochloride::CHEMBL490665::US10377763, Example 1
SMILES: CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1
InChI Key: InChIKey=XGZZHZMWIXFATA-UEZBDDGYSA-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 (Cavia porcellus (domestic guinea pig)) | BDBM50274347 ((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 0.178 | 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]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis | Bioorg Med Chem Lett 23: 268-72 (2012) Article DOI: 10.1016/j.bmcl.2012.10.100 BindingDB Entry DOI: 10.7270/Q2348MPC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Mus musculus (Mouse)) | BDBM50274347 ((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | PubMed | 0.178 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tsukuba Curated by ChEMBL | Assay Description Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellum | Bioorg Med Chem 23: 6271-9 (2015) BindingDB Entry DOI: 10.7270/Q2V126M1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50274347 ((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | PubMed | 0.238 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tsukuba Curated by ChEMBL | Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes by micro-beta scintillation counting method | J Med Chem 60: 1018-1040 (2017) BindingDB Entry DOI: 10.7270/Q22N54JH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50274347 ((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 0.431 | 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 without cerebellum after 1 hr by liquid scintillation counting analy... | Bioorg Med Chem Lett 23: 268-72 (2012) Article DOI: 10.1016/j.bmcl.2012.10.100 BindingDB Entry DOI: 10.7270/Q2348MPC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50274347 ((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | PubMed | 0.431 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tsukuba Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from MOR in guinea pig cerebellum membranes | Bioorg Med Chem 23: 6271-9 (2015) BindingDB Entry DOI: 10.7270/Q2V126M1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50274347 ((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | PubMed | 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tsukuba Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes by micro-beta scintillation counting method | J Med Chem 60: 1018-1040 (2017) BindingDB Entry DOI: 10.7270/Q22N54JH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50274347 ((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 51 | 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 without cerebellum after 1 hr by liquid scintillation counting an... | Bioorg Med Chem Lett 23: 268-72 (2012) Article DOI: 10.1016/j.bmcl.2012.10.100 BindingDB Entry DOI: 10.7270/Q2348MPC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50274347 ((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | PubMed | 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tsukuba Curated by ChEMBL | Assay Description Displacement of [3H]DPDPE from DOR in mouse whole brain membranes without cerebellum | Bioorg Med Chem 23: 6271-9 (2015) BindingDB Entry DOI: 10.7270/Q2V126M1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM50274347 ((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | PubMed | 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tsukuba Curated by ChEMBL | Assay Description Antagonist activity at human OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular calcium level preincubated for 15... | J Med Chem 60: 1018-1040 (2017) BindingDB Entry DOI: 10.7270/Q22N54JH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50274347 ((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | PubMed | 693 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tsukuba Curated by ChEMBL | Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes by micro-beta scintillation counting method | J Med Chem 60: 1018-1040 (2017) BindingDB Entry DOI: 10.7270/Q22N54JH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50274347 ((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.00820 | n/a | n/a | n/a | n/a |
Toray Industries, Inc. Curated by ChEMBL | Assay Description Agonist activity at kappa opioid receptor (unknown origin) | Bioorg Med Chem Lett 27: 3920-3924 (2017) Article DOI: 10.1016/j.bmcl.2017.06.017 BindingDB Entry DOI: 10.7270/Q2ZW1PD9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM50274347 ((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF TSUKUBA US Patent | Assay Description The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene... | US Patent US10377763 (2019) BindingDB Entry DOI: 10.7270/Q2FF3VQ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 2 (Homo sapiens (Human)) | BDBM50274347 ((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | US Patent | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF TSUKUBA US Patent | Assay Description The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene... | US Patent US10377763 (2019) BindingDB Entry DOI: 10.7270/Q2FF3VQ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM50274347 ((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 82.8 | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF TSUKUBA US Patent | Assay Description The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene... | US Patent US10377763 (2019) BindingDB Entry DOI: 10.7270/Q2FF3VQ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 2 (Homo sapiens (Human)) | BDBM50274347 ((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | US Patent | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF TSUKUBA US Patent | Assay Description The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene... | US Patent US10377763 (2019) BindingDB Entry DOI: 10.7270/Q2FF3VQ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50274347 ((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay | Bioorg Med Chem Lett 23: 268-72 (2012) Article DOI: 10.1016/j.bmcl.2012.10.100 BindingDB Entry DOI: 10.7270/Q2348MPC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50274347 ((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
Toray Industries, Inc. Curated by ChEMBL | Assay Description Agonist activity at mu opioid receptor (unknown origin) | Bioorg Med Chem Lett 27: 3920-3924 (2017) Article DOI: 10.1016/j.bmcl.2017.06.017 BindingDB Entry DOI: 10.7270/Q2ZW1PD9 | |||||||||||
More data for this Ligand-Target Pair |