BDBM50248793 17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-epoxy-6beta-(cinnamoylamino)morphinan::CHEMBL473362
SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1
InChI Key: InChIKey=LZOHGRMVIRLGGP-ZHWHHXEDSA-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)) | BDBM50248793 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane by liquid scintillation and luminescence counter | J Med Chem 52: 1546-52 (2009) Article DOI: 10.1021/jm8015552 BindingDB Entry DOI: 10.7270/Q2513Z24 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50248793 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 0.0700 | 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 (Rattus norvegicus (rat)) | BDBM50248793 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membrane by liquid scintillation and luminescence counter | J Med Chem 52: 1546-52 (2009) Article DOI: 10.1021/jm8015552 BindingDB Entry DOI: 10.7270/Q2513Z24 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50248793 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 0.200 | 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 | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50248793 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 3.10 | 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 | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50248793 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 13 | 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 | |||||||||||||
Kappa-type opioid receptor (Mus musculus (Mouse)) | BDBM50248793 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 5.60 | 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 mouse vas deferens(MVD) preparations | 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 (Homo sapiens (Human)) | BDBM50248793 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) | 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 | 0.120 | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding | J Med Chem 52: 1546-52 (2009) Article DOI: 10.1021/jm8015552 BindingDB Entry DOI: 10.7270/Q2513Z24 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50248793 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 0.400 | 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 | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50248793 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Agonist activity at rat mu opioid receptor expressed in rat C6 cell membrane assessed as stimulation of [35S]GTPgammaS binding | J Med Chem 52: 1546-52 (2009) Article DOI: 10.1021/jm8015552 BindingDB Entry DOI: 10.7270/Q2513Z24 | |||||||||||
More data for this Ligand-Target Pair |