BDBM50389704 CHEMBL2070081::US10544104, Compound 150::US9518026, Example 9::US9765037, Compound 150::US9956214, Compound 9

SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12

InChI Key InChIKey=KONPIFGGWNMOKY-UHFFFAOYSA-N

Data  20 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 3 hits for monomerid = 50389704   

TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington Through Its Center For Commercialization

US Patent
LigandPNGBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)
Affinity DataIC50:  3nMAssay Description:Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...More data for this Ligand-Target Pair
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington Through Its Center For Commercialization

US Patent
LigandPNGBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)
Affinity DataIC50:  3nMAssay Description:Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...More data for this Ligand-Target Pair
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington Through Its Center For Commercialization

US Patent
LigandPNGBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)
Affinity DataIC50:  2.90nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair