BDBM102773 CHEMBL1287882::US8541572, 2203

SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)N3CCNCC3)C(=O)c2c1

InChI Key InChIKey=PYTXPVHJIDYQEO-UHFFFAOYSA-N

Data  2 KI  1 IC50

  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 2 hits for monomerid = 102773   

TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM102773(CHEMBL1287882 | US8541572, 2203)
Affinity DataKi:  0.610nMAssay Description:Inhibition of TACEMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMed
TargetTumor necrosis factor(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM102773(CHEMBL1287882 | US8541572, 2203)
Affinity DataKi:  0.610nM IC50: 205nMAssay Description:Inhibition assay using TNF-alpha.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2013
Entry Details
US Patent