BDBM416537 US10307425, Example 3::US10632122, Example 3

SMILES CN1CCC(CC2(N)N=CN=C3NNC(=C23)c2ccc3nc(OC4CC4)ccc3c2)CC1

InChI Key InChIKey=XVRPPACEVYBJNB-UHFFFAOYSA-N

Data  2 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 = 416537   

TargetCAM kinase, CDPK family TgCDPK1(Toxoplasma gondii (strain ATCC 50861 / VEG))
University of Washington

US Patent
LigandPNGBDBM416537(US10307425, Example 3 | US10632122, Example 3)
Affinity DataIC50: 1.60nMAssay Description:Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2020
Entry Details
Go to US Patent

TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

US Patent
LigandPNGBDBM416537(US10307425, Example 3 | US10632122, Example 3)
Affinity DataIC50: 1.60nMAssay Description:Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/10/2021
Entry Details
Go to US Patent