BDBM50167574 1N-{3-[2-hydroxy-(1R,2S,4aR,13bS)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroisoquino[3,2-a]b-carbolin-1-ylcarboxamido]propyl}-2-hydroxy-(1S,2R,4aS,13bR,14aR)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroisoquino[3,2-a]::CHEMBL371516

SMILES O=C(NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)[C@H]1[C@@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2CC[C@H]1O

InChI Key InChIKey=OIXDQFQFMZDLEJ-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 = 50167574   

TargetAlpha-2C adrenergic receptor(Human)
University of Tennessee

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50167574BDBM50167574(1N-{3-[2-hydroxy-(1R,2S,4aR,13bS)-1,2,3,4,4a,5,7,8...)
Affinity DataKi:  8.5nMAssay Description:In vitro binding affinity measured by displacement of [3H]rauwolscine from alpha-2c adrenergic receptor expressed in CHO cells in presence of phentol...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed