BDBM50302886 CHEMBL570750::N-((3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl)-4-hydroxypiperidine-1-carboxamide

SMILES OC1CCN(CC1)C(=O)N[C@@H]1CC[C@H](CN(CC(F)(F)F)C1=O)c1cccc(F)c1F

InChI Key InChIKey=IUARSNIFGNVMMB-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 = 50302886   

TargetCalcitonin gene-related peptide type 1 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50302886(N-((3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-t...)
Affinity DataKi:  5.00E+3nMAssay Description:Displacement of [125I]human CGRP from human CLR expressed in HEK 293 cells coexpressing human RAMP1 after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed