BDBM50327514 (3S,4aR,4bS,6R,8R,8aR,10aR)-6-Fluoro-3-furan-3-yl-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid methyl ester::CHEMBL1257378
SMILES: COC(=O)[C@@H]1C[C@@H](F)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
InChI Key: InChIKey=MPJYQVPXSUIDAH-GKRPYSMHSA-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)) | BDBM50327514 ((3S,4aR,4bS,6R,8R,8aR,10aR)-6-Fluoro-3-furan-3-yl-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 197 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells | Bioorg Med Chem Lett 20: 5749-52 (2010) Article DOI: 10.1016/j.bmcl.2010.08.001 BindingDB Entry DOI: 10.7270/Q2S182QC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50327514 ((3S,4aR,4bS,6R,8R,8aR,10aR)-6-Fluoro-3-furan-3-yl-...) | 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 | 539 | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as increase of [35S]GTPgammaS binding | Bioorg Med Chem Lett 20: 5749-52 (2010) Article DOI: 10.1016/j.bmcl.2010.08.001 BindingDB Entry DOI: 10.7270/Q2S182QC | |||||||||||
More data for this Ligand-Target Pair |