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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 = 'BDBM50250008'   
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)		BDBM50250008
PNG
(CHEMBL4068845 | US11208411, Compound FUR7-89)
Show SMILES Nc1ncnc2n(CC3CCOCC3)nc(Oc3cccc(Cl)c3)c12
Show InChI InChI=1S/C17H18ClN5O2/c18-12-2-1-3-13(8-12)25-17-14-15(19)20-10-21-16(14)23(22-17)9-11-4-6-24-7-5-11/h1-3,8,10-11H,4-7,9H2,(H2,19,20,21)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 219n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair