BDBM50166729 (3S,4aR,6S,8R,8aR)-3-Furan-3-yl-4a,8a-dimethyl-1,5-dioxo-6-propionyloxy-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid methyl ester::CHEMBL196789
SMILES: CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1
InChI Key: InChIKey=UPFVFWZGNRKYFG-JJTRNTLYSA-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)) | BDBM50166729 ((3S,4aR,6S,8R,8aR)-3-Furan-3-yl-4a,8a-dimethyl-1,5...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McLean Hospital Curated by ChEMBL | Assay Description Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells | Bioorg Med Chem Lett 15: 2761-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.113 BindingDB Entry DOI: 10.7270/Q2TD9Z3J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50166729 ((3S,4aR,6S,8R,8aR)-3-Furan-3-yl-4a,8a-dimethyl-1,5...) | 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 | 20.4 | n/a | n/a | n/a | n/a |
McLean Hospital Curated by ChEMBL | Assay Description Effective concentration for activation of human Opioid receptor kappa 1 expressed in chinese hamster ovary cells to enhance [35S]GTP-gamma-S, binding | Bioorg Med Chem Lett 15: 2761-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.113 BindingDB Entry DOI: 10.7270/Q2TD9Z3J | |||||||||||
More data for this Ligand-Target Pair |