BDBM50167579 CHEMBL196064::{3-[((1R,2S,4aR,13bS)-2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carbonyl)-amino]-propyl}-carbamic acid tert-butyl ester

SMILES CC(C)(C)OC(=O)NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC12

InChI Key InChIKey=QKNLXLITLKKTTC-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 = 50167579   

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

Curated by ChEMBL
LigandPNGBDBM50167579({3-[((1R,2S,4aR,13bS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataKi:  2.80nMAssay 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