BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 366.4
BDBM340937

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   
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)
BDBM340937
PNG
(N-(4-(4-amino-1-tert-butyl-1H-pyrazol[3,4- d]pyrim...)
Show SMILES CC(C)CC(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C20H26N6O/c1-12(2)10-15(27)24-14-8-6-13(7-9-14)17-16-18(21)22-11-23-19(16)26(25-17)20(3,4)5/h6-9,11-12H,10H2,1-5H3,(H,24,27)(H2,21,22,23)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40.9n/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
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM340937
PNG
(N-(4-(4-amino-1-tert-butyl-1H-pyrazol[3,4- d]pyrim...)
Show SMILES CC(C)CC(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C20H26N6O/c1-12(2)10-15(27)24-14-8-6-13(7-9-14)17-16-18(21)22-11-23-19(16)26(25-17)20(3,4)5/h6-9,11-12H,10H2,1-5H3,(H,24,27)(H2,21,22,23)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40.9n/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
cGMP-dependent protein kinase


()
BDBM340937
PNG
(N-(4-(4-amino-1-tert-butyl-1H-pyrazol[3,4- d]pyrim...)
Show SMILES CC(C)CC(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C20H26N6O/c1-12(2)10-15(27)24-14-8-6-13(7-9-14)17-16-18(21)22-11-23-19(16)26(25-17)20(3,4)5/h6-9,11-12H,10H2,1-5H3,(H,24,27)(H2,21,22,23)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40.9n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K077GQ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1, putative


(Cryptosporidium parvum (strain Iowa II))
BDBM340937
PNG
(N-(4-(4-amino-1-tert-butyl-1H-pyrazol[3,4- d]pyrim...)
Show SMILES CC(C)CC(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C20H26N6O/c1-12(2)10-15(27)24-14-8-6-13(7-9-14)17-16-18(21)22-11-23-19(16)26(25-17)20(3,4)5/h6-9,11-12H,10H2,1-5H3,(H,24,27)(H2,21,22,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 692n/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
Calcium/calmodulin dependent protein kinase with a kinas domain and 4 calmodulin-like EF hands


(Cryptosporidium parvum (strain Iowa II))
BDBM340937
PNG
(N-(4-(4-amino-1-tert-butyl-1H-pyrazol[3,4- d]pyrim...)
Show SMILES CC(C)CC(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C20H26N6O/c1-12(2)10-15(27)24-14-8-6-13(7-9-14)17-16-18(21)22-11-23-19(16)26(25-17)20(3,4)5/h6-9,11-12H,10H2,1-5H3,(H,24,27)(H2,21,22,23)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 692n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K077GQ
More data for this
Ligand-Target Pair
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)
BDBM340937
PNG
(N-(4-(4-amino-1-tert-butyl-1H-pyrazol[3,4- d]pyrim...)
Show SMILES CC(C)CC(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C20H26N6O/c1-12(2)10-15(27)24-14-8-6-13(7-9-14)17-16-18(21)22-11-23-19(16)26(25-17)20(3,4)5/h6-9,11-12H,10H2,1-5H3,(H,24,27)(H2,21,22,23)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 692n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...


US Patent US9765037 (2017)


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