BDBM50336600 CHEMBL3216936::[[17-Cyclopropylmethyl-4,5alpha-epoxy-3-hydroxy-14beta-[(3-phenylpropyl)oxy]morphinan-6alpha-yl]amino]acetic Acid Dihydrochloride
SMILES: Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CC[C@H]2NCC(O)=O)OCCCc1ccccc1)ccc3O
InChI Key: InChIKey=ZJWDRJAMCPEBDA-CBDXKTNESA-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 (Rattus norvegicus (rat)) | BDBM50336600 (CHEMBL3216936 | [[17-Cyclopropylmethyl-4,5alpha-ep...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting | J Med Chem 54: 980-8 (2011) Article DOI: 10.1021/jm101211p BindingDB Entry DOI: 10.7270/Q2MP53KV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50336600 (CHEMBL3216936 | [[17-Cyclopropylmethyl-4,5alpha-ep...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting | J Med Chem 54: 980-8 (2011) Article DOI: 10.1021/jm101211p BindingDB Entry DOI: 10.7270/Q2MP53KV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50336600 (CHEMBL3216936 | [[17-Cyclopropylmethyl-4,5alpha-ep...) | 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 | 11 | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins | J Med Chem 54: 980-8 (2011) Article DOI: 10.1021/jm101211p BindingDB Entry DOI: 10.7270/Q2MP53KV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50336600 (CHEMBL3216936 | [[17-Cyclopropylmethyl-4,5alpha-ep...) | PDB NCI pathway 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 | 4.20 | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins | J Med Chem 54: 980-8 (2011) Article DOI: 10.1021/jm101211p BindingDB Entry DOI: 10.7270/Q2MP53KV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50336600 (CHEMBL3216936 | [[17-Cyclopropylmethyl-4,5alpha-ep...) | 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 | 1.10 | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins | J Med Chem 54: 980-8 (2011) Article DOI: 10.1021/jm101211p BindingDB Entry DOI: 10.7270/Q2MP53KV | |||||||||||
More data for this Ligand-Target Pair |