BDBM50171172 CHEMBL370546::[((3S,4aR,4bS,6S,8R,8aR,10aS)-6-Acetoxy-3-furan-3-yl-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthrene-8-carbonyl)-amino]-acetic acid benzyl ester

SMILES CC(=O)O[C@H]1C[C@@H](C(=O)NCC(=O)OCc2ccccc2)[C@]2(C)CC[C@@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1

InChI Key InChIKey=ATXLOEQZBIIDMW-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50171172   

TargetKappa-type opioid receptor(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50171172([((3S,4aR,4bS,6S,8R,8aR,10aS)-6-Acetoxy-3-furan-3-...)
Affinity DataKi: >1.00E+3nMAssay Description:Binding affinity for 1 uM [3H]diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed