BDBM289097 (−)-1,5-Dimethyl-6-(2-methyl-4-{[3-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)pyrimidine-2,4(1H,3H)-dione (7)::US10093655, Example 7

SMILES Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c(cccn3)C(F)(F)F

InChI Key InChIKey=AKQXQLUNFKDZBN-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 2 hits for monomerid = 289097   

TargetD(1A) dopamine receptor(Human)TBA
LigandPNGBDBM289097(US10093655, Example 7 | (−)-1,5-Dimethyl-6-(...)
Affinity DataKi:  8.5nMAssay Description:Binding affinity to D1 receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetD(1A) dopamine receptor(Human)TBA
LigandPNGBDBM289097(US10093655, Example 7 | (−)-1,5-Dimethyl-6-(...)
Affinity DataKi:  8.54nMpH: 7.4Assay Description:The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/22/2019
Entry Details
US Patent
PDB3D3D Structure (crystal)