BDBM50321029 (1R,2R,6S,14R,15R,16S)-3-(cyclopropylmethyl)-11,15-dihydroxy-N-methyl-N-(2-phenylethyl)-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7(12),8,10,18-tetraene-16-carboxamide::CHEMBL1163923::TAN-821

SMILES CN(CCc1ccccc1)C(=O)[C@H]1C[C@]23C=C[C@]1(O)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O

InChI Key InChIKey=XTSYSSUSRFOCHS-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50321029   

TargetKappa-type opioid receptor(Human)
Kitasato University

Curated by ChEMBL
LigandPNGBDBM50321029(TAN-821 | (1R,2R,6S,14R,15R,16S)-3-(cyclopropylmet...)
Affinity DataKi:  0.279nMAssay Description:Binding affinity to kappa opioid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed