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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' and Ligand = 'BDBM50383381'   
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)
BDBM50383381
PNG
(CHEMBL2030554 | CHEMBL2070050 | US10544104, Compou...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
n/an/a 3.80n/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
3D
3D Structure (crystal)
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50383381
PNG
(CHEMBL2030554 | CHEMBL2070050 | US10544104, Compou...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
n/an/a 3.80n/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
3D
3D Structure (crystal)