BDBM50247803 Beta-Funeltrexamine::CHEMBL473136::beta-funaltrexamine::methyl (2E)-3-{[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-yl]carbamoyl}prop-2-enoate::methyl 3-[4-cyclopropylmethyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-ylcarbamoyl]-(E)-2-propenoate
SMILES: COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
InChI Key: InChIKey=PQKHESYTSKMWFP-WZJCLRDWSA-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 |
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Mu-type opioid receptor (GUINEA PIG) | BDBM50247803 (Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from MOR in guinea pig brain membrane | J Med Chem 55: 9868-74 (2012) Article DOI: 10.1021/jm301096s BindingDB Entry DOI: 10.7270/Q2M909TS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50247803 (Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for binding affinity against [3H]- DAMGO labeled mu opioid receptor in guinea-pig brain homogenate. | Bioorg Med Chem Lett 6: 167-172 (1996) Article DOI: 10.1016/0960-894X(95)00583-F BindingDB Entry DOI: 10.7270/Q2QJ7H83 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50247803 (Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 0.410 | n/a | n/a | n/a | n/a | 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 | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50247803 (Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 0.410 | 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]DAMGO from mu opioid receptor expressed in CHO cells | Bioorg Med Chem Lett 19: 1825-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.093 BindingDB Entry DOI: 10.7270/Q2GX4CH2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50247803 (Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for binding affinity against [3H]- U-69593 labeled kappa1 opioid receptor in guinea-pig brain homogenate. | Bioorg Med Chem Lett 6: 167-172 (1996) Article DOI: 10.1016/0960-894X(95)00583-F BindingDB Entry DOI: 10.7270/Q2QJ7H83 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50247803 (Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Displacement of [3H]U69593 from KOR in guinea pig brain membrane | J Med Chem 55: 9868-74 (2012) Article DOI: 10.1021/jm301096s BindingDB Entry DOI: 10.7270/Q2M909TS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50247803 (Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 0.940 | 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 | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50247803 (Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 0.940 | 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 kappa opioid receptor expressed in CHO cells | Bioorg Med Chem Lett 19: 1825-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.093 BindingDB Entry DOI: 10.7270/Q2GX4CH2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50247803 (Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article | 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for binding affinity against [3H]- Cl-DPDPE labeled Opioid receptor delta 1 in guinea-pig brain homogenate. | Bioorg Med Chem Lett 6: 167-172 (1996) Article DOI: 10.1016/0960-894X(95)00583-F BindingDB Entry DOI: 10.7270/Q2QJ7H83 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50247803 (Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 28 | 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 delta opioid receptor expressed in CHO cells | Bioorg Med Chem Lett 19: 1825-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.093 BindingDB Entry DOI: 10.7270/Q2GX4CH2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50247803 (Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 28 | 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 | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50247803 (Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article | 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for kappa opioid receptor mediated agonistic effect in electrically stimulated guinea-pig ileum | Bioorg Med Chem Lett 6: 167-172 (1996) Article DOI: 10.1016/0960-894X(95)00583-F BindingDB Entry DOI: 10.7270/Q2QJ7H83 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
neuropeptides B/W receptor 1 (Homo sapiens (Human)) | BDBM50247803 (Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Addiction Research Foundation Curated by PDSP Ki Database | Genomics 28: 84-91 (1995) Article DOI: 10.1006/geno.1995.1109 BindingDB Entry DOI: 10.7270/Q2ZG6QRZ | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50247803 (Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibitory concentration against mu-opioid receptor in guinea pig ileum | J Med Chem 36: 3669-73 (1994) BindingDB Entry DOI: 10.7270/Q2W096JR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50247803 (Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas Curated by ChEMBL | Assay Description Displacement of beta-[3H]FNA from mu opioid receptor in guinea pig brain membrane | J Med Chem 52: 7372-5 (2009) Article DOI: 10.1021/jm9007592 BindingDB Entry DOI: 10.7270/Q2K64J5B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50247803 (Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibitory concentration against mu-opioid receptor in mouse vas deferens | J Med Chem 36: 3669-73 (1994) BindingDB Entry DOI: 10.7270/Q2W096JR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptor (Rattus norvegicus (rat)-RAT) | BDBM50247803 (Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description The compound was tested for binding affinity against opioid receptor in rat brain membranes, using [3H]dihydromorphine as the radioligand | J Med Chem 29: 1868-71 (1986) BindingDB Entry DOI: 10.7270/Q2D50Q50 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptor (Mus musculus (Mouse)-MOUSE) | BDBM50247803 (Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was tested for agonist activity against opioid receptor in mouse vas deferens preparation | J Med Chem 29: 1868-71 (1986) BindingDB Entry DOI: 10.7270/Q2D50Q50 | |||||||||||
More data for this Ligand-Target Pair |