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Found 2 hits Enz. Inhib. hit(s) with Target = 'Calmodulin-domain protein kinase 1 (CDPK1)' and Ligand = 'BDBM50148737'   
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)
BDBM50148737
PNG
(CHEMBL3770076 | US9518026, Example 69)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OCC3CC3)ccc2c1
Show InChI InChI=1S/C21H25N5O2/c1-21(2,3)26-19(22)17(20(23)27)18(25-26)14-8-13-6-7-15(9-16(13)24-10-14)28-11-12-4-5-12/h6-10,12H,4-5,11,22H2,1-3H3,(H2,23,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



University of Washington Through its Center For Commercialization

US Patent


Assay 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...


US Patent US9518026 (2016)

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


(Toxoplasma gondii)
BDBM50148737
PNG
(CHEMBL3770076 | US9518026, Example 69)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OCC3CC3)ccc2c1
Show InChI InChI=1S/C21H25N5O2/c1-21(2,3)26-19(22)17(20(23)27)18(25-26)14-8-13-6-7-15(9-16(13)24-10-14)28-11-12-4-5-12/h6-10,12H,4-5,11,22H2,1-3H3,(H2,23,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...


ACS Med Chem Lett 6: 1184-1189 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00319
BindingDB Entry DOI: 10.7270/Q2NK3GXD
More data for this
Ligand-Target Pair