BDBM50326710 7-chloro-2-(3-(9-(pyridin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl)isoindolin-1-one::CHEMBL1254945

SMILES c1cc(cc(c1)N2Cc3cccc(c3C2=O)Cl)C(=O)N4CCC5(CCN(CC5)c6ccncc6)CC4

InChI Key InChIKey=ARYQHSWJGHCGJS-UHFFFAOYSA-N

Data  1 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50326710   

TargetB1 bradykinin receptor(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326710BDBM50326710(7-chloro-2-(3-(9-(pyridin-4-yl)-3,9-diazaspiro[5.5...)
Affinity DataKi:  0.260nMAssay Description:Displacement of [3H]Lys0-des-Arg9-BK at human bradykinin B1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)