BDBM120412 Roche-Dataset for PDE10A, Compound 1047::US8703768, 11

SMILES CNC(=O)c1c(cnn1CCOC)NC(=O)c2c(ccc(n2)C3CC3)Nc4cncnc4

InChI Key InChIKey=ZWUJHQATHVUVOH-UHFFFAOYSA-N

Data  2 IC50

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 2 hits for monomerid = 120412   

LigandPNGBDBM120412(US8703768, 11 | Roche-Dataset for PDE10A, Compound...)
Affinity DataIC50: 0.830nMAssay Description:Human PDE10A IC50 values were determined by using purified enzyme (Biomol cat. # SE-534) in a scintillation proximity assay (SPA) in 96 well plates (...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/28/2022
Entry Details Article
PubMed
LigandPNGBDBM120412(US8703768, 11 | Roche-Dataset for PDE10A, Compound...)
Affinity DataIC50: 1.20nMAssay Description:PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/14/2014
Entry Details
US Patent