Found 11 hits in this display Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50345722
(1-(2-(1-(methylsulfonyl)piperidin-4-yl)ethyl)-3-(n...)Show SMILES CS(=O)(=O)N1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C24H28N6O2S/c1-33(31,32)29-12-9-17(10-13-29)11-14-30-24-22(23(25)26-16-27-24)21(28-30)15-19-7-4-6-18-5-2-3-8-20(18)19/h2-8,16-17H,9-15H2,1H3,(H2,25,26,27) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/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
() | BDBM50345722
(1-(2-(1-(methylsulfonyl)piperidin-4-yl)ethyl)-3-(n...)Show SMILES CS(=O)(=O)N1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C24H28N6O2S/c1-33(31,32)29-12-9-17(10-13-29)11-14-30-24-22(23(25)26-16-27-24)21(28-30)15-19-7-4-6-18-5-2-3-8-20(18)19/h2-8,16-17H,9-15H2,1H3,(H2,25,26,27) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/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
(Toxoplasma gondii) | BDBM50345722
(1-(2-(1-(methylsulfonyl)piperidin-4-yl)ethyl)-3-(n...)Show SMILES CS(=O)(=O)N1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C24H28N6O2S/c1-33(31,32)29-12-9-17(10-13-29)11-14-30-24-22(23(25)26-16-27-24)21(28-30)15-19-7-4-6-18-5-2-3-8-20(18)19/h2-8,16-17H,9-15H2,1H3,(H2,25,26,27) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50345722
(1-(2-(1-(methylsulfonyl)piperidin-4-yl)ethyl)-3-(n...)Show SMILES CS(=O)(=O)N1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C24H28N6O2S/c1-33(31,32)29-12-9-17(10-13-29)11-14-30-24-22(23(25)26-16-27-24)21(28-30)15-19-7-4-6-18-5-2-3-8-20(18)19/h2-8,16-17H,9-15H2,1H3,(H2,25,26,27) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/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
() | BDBM50345722
(1-(2-(1-(methylsulfonyl)piperidin-4-yl)ethyl)-3-(n...)Show SMILES CS(=O)(=O)N1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C24H28N6O2S/c1-33(31,32)29-12-9-17(10-13-29)11-14-30-24-22(23(25)26-16-27-24)21(28-30)15-19-7-4-6-18-5-2-3-8-20(18)19/h2-8,16-17H,9-15H2,1H3,(H2,25,26,27) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Kinase phosphorylation reactions were performed in a buffered medium containing 20 mM HEPES pH 7.5 (KOH), 0.1% BSA, 10 mM MgCl2, 1 mM EGTA (pH 7.2), ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2K077GQ |
More data for this
Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50345722
(1-(2-(1-(methylsulfonyl)piperidin-4-yl)ethyl)-3-(n...)Show SMILES CS(=O)(=O)N1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C24H28N6O2S/c1-33(31,32)29-12-9-17(10-13-29)11-14-30-24-22(23(25)26-16-27-24)21(28-30)15-19-7-4-6-18-5-2-3-8-20(18)19/h2-8,16-17H,9-15H2,1H3,(H2,25,26,27) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington.
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90... |
ACS Med Chem Lett 1: 331-335 (2011)
Article DOI: 10.1021/ml100096t
BindingDB Entry DOI: 10.7270/Q2JW8FV5 |
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)) | BDBM50345722
(1-(2-(1-(methylsulfonyl)piperidin-4-yl)ethyl)-3-(n...)Show SMILES CS(=O)(=O)N1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C24H28N6O2S/c1-33(31,32)29-12-9-17(10-13-29)11-14-30-24-22(23(25)26-16-27-24)21(28-30)15-19-7-4-6-18-5-2-3-8-20(18)19/h2-8,16-17H,9-15H2,1H3,(H2,25,26,27) | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 194 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50345722
(1-(2-(1-(methylsulfonyl)piperidin-4-yl)ethyl)-3-(n...)Show SMILES CS(=O)(=O)N1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C24H28N6O2S/c1-33(31,32)29-12-9-17(10-13-29)11-14-30-24-22(23(25)26-16-27-24)21(28-30)15-19-7-4-6-18-5-2-3-8-20(18)19/h2-8,16-17H,9-15H2,1H3,(H2,25,26,27) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 194 | n/a | n/a | n/a | n/a | n/a | n/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-dependent protein kinase 1
(Cryptosporidium parvum) | BDBM50345722
(1-(2-(1-(methylsulfonyl)piperidin-4-yl)ethyl)-3-(n...)Show SMILES CS(=O)(=O)N1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C24H28N6O2S/c1-33(31,32)29-12-9-17(10-13-29)11-14-30-24-22(23(25)26-16-27-24)21(28-30)15-19-7-4-6-18-5-2-3-8-20(18)19/h2-8,16-17H,9-15H2,1H3,(H2,25,26,27) | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 194 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Calmodulin-domain protein kinase 1, putative
(Cryptosporidium parvum (strain Iowa II)) | BDBM50345722
(1-(2-(1-(methylsulfonyl)piperidin-4-yl)ethyl)-3-(n...)Show SMILES CS(=O)(=O)N1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C24H28N6O2S/c1-33(31,32)29-12-9-17(10-13-29)11-14-30-24-22(23(25)26-16-27-24)21(28-30)15-19-7-4-6-18-5-2-3-8-20(18)19/h2-8,16-17H,9-15H2,1H3,(H2,25,26,27) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50345722
(1-(2-(1-(methylsulfonyl)piperidin-4-yl)ethyl)-3-(n...)Show SMILES CS(=O)(=O)N1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C24H28N6O2S/c1-33(31,32)29-12-9-17(10-13-29)11-14-30-24-22(23(25)26-16-27-24)21(28-30)15-19-7-4-6-18-5-2-3-8-20(18)19/h2-8,16-17H,9-15H2,1H3,(H2,25,26,27) | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Kinase phosphorylation reactions were performed in a buffered medium containing 20 mM HEPES pH 7.5 (KOH), 0.1% BSA, 10 mM MgCl2, 1 mM EGTA (pH 7.2), ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2K077GQ |
More data for this
Ligand-Target Pair | |