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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calmodulin-domain protein kinase 1' and Ligand = 'BDBM50534391'   
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


(Toxoplasma gondii)		BDBM50534391
PNG
(CHEMBL4445679)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(CC2)C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C26H32N6O/c1-4-33-22-8-7-19-13-21(6-5-20(19)14-22)24-23-25(27)28-16-29-26(23)32(30-24)15-18-9-11-31(12-10-18)17(2)3/h5-8,13-14,16-18H,4,9-12,15H2,1-3H3,(H2,27,28,29)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...

J Med Chem 59: 6531-46 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00760
BindingDB Entry DOI: 10.7270/Q2XW4P8B
More data for this
Ligand-Target Pair