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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Calmodulin-domain protein kinase 1 (CDPK1)' and Ligand = 'BDBM50345731'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50345731
PNG
(3-(4-fluoro-3-methylphenyl)-1-isopropyl-1H-pyrazol...)
Show SMILES CC(C)n1nc(-c2ccc(F)c(C)c2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16FN5/c1-8(2)21-15-12(14(17)18-7-19-15)13(20-21)10-4-5-11(16)9(3)6-10/h4-8H,1-3H3,(H2,17,18,19)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50345731
PNG
(3-(4-fluoro-3-methylphenyl)-1-isopropyl-1H-pyrazol...)
Show SMILES CC(C)n1nc(-c2ccc(F)c(C)c2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16FN5/c1-8(2)21-15-12(14(17)18-7-19-15)13(20-21)10-4-5-11(16)9(3)6-10/h4-8H,1-3H3,(H2,17,18,19)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



University of Washington.

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...


ACS Med Chem Lett 1: 331-335 (2011)


Article DOI: 10.1021/ml100096t
BindingDB Entry DOI: 10.7270/Q2JW8FV5
More data for this
Ligand-Target Pair