BDBM408500 (R)- or (S)-6-(1-(1-(2,3-difluoro- 4-(trifluoromethyl)phenyl) ethyl)-1H-1,2,3-triazol-4-yl)- 2-methylpyrimidin-4(3H)-one::US10358435, Example 21::US10358435, Example 22

SMILES CCc1ccc(C(C)n2cc(nn2)-c2cc(=O)[nH]c(C)n2)c(F)c1F

InChI Key InChIKey=KOXGJOYLVLDKLU-UHFFFAOYSA-N

Data  3 KI

  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 3 hits for monomerid = 408500   

TargetcGMP-dependent 3',5'-cyclic phosphodiesterase(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM408500(US10358435, Example 22 | (R)- or (S)-6-(1-(1-(2,3-...)
Affinity DataKi:  2.60nMAssay Description:In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2020
Entry Details
Go to US Patent

TargetPhosphodiesterase(Rhesus macaque)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM408500(US10358435, Example 22 | (R)- or (S)-6-(1-(1-(2,3-...)
Affinity DataKi:  3.90nMAssay Description:In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2020
Entry Details
Go to US Patent

TargetcGMP-dependent 3',5'-cyclic phosphodiesterase(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM408500(US10358435, Example 22 | (R)- or (S)-6-(1-(1-(2,3-...)
Affinity DataKi:  17.7nMAssay Description:In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2020
Entry Details
Go to US Patent