BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Calmodulin-domain protein kinase 1' and Ligand = 'BDBM50389702'   
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)
BDBM50389702
PNG
(CHEMBL2070069 | US10544104, Compound 39 | US112479...)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccc(Cl)cc5)ccc4c3)c12
Show InChI InChI=1S/C28H27ClN6O/c29-23-6-1-19(2-7-23)16-36-24-8-5-20-13-22(4-3-21(20)14-24)26-25-27(30)32-17-33-28(25)35(34-26)15-18-9-11-31-12-10-18/h1-8,13-14,17-18,31H,9-12,15-16H2,(H2,30,32,33)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.700n/an/an/an/an/an/a



UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR CO

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 US10544104 (2020)


BindingDB Entry DOI: 10.7270/Q2D79DSF
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50389702
PNG
(CHEMBL2070069 | US10544104, Compound 39 | US112479...)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccc(Cl)cc5)ccc4c3)c12
Show InChI InChI=1S/C28H27ClN6O/c29-23-6-1-19(2-7-23)16-36-24-8-5-20-13-22(4-3-21(20)14-24)26-25-27(30)32-17-33-28(25)35(34-26)15-18-9-11-31-12-10-18/h1-8,13-14,17-18,31H,9-12,15-16H2,(H2,30,32,33)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.700n/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)


BindingDB Entry DOI: 10.7270/Q2B56MVC
More data for this
Ligand-Target Pair