BDBM50125692 3,4,5-trihydroxy-6-[10-hydroxy-(5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-yloxy]tetrahydro-2H-2-pyrancarboxylic acid::CHEMBL2079576
SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2OC1O[C@H](CC(O)C1O)C(O)=O)ccc3O
InChI Key: InChIKey=CWMQXBPTKBKIND-INQFIEODSA-N
Data: 2 KI
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)) | BDBM50125692 (3,4,5-trihydroxy-6-[10-hydroxy-(5R,13R,14S,17R)-12...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd Curated by ChEMBL | Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement. | Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50125692 (3,4,5-trihydroxy-6-[10-hydroxy-(5R,13R,14S,17R)-12...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd Curated by ChEMBL | Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement. | Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC | |||||||||||
More data for this Ligand-Target Pair |