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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 353.4
BDBM50148631

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

Found 5 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
Uncharacterized protein


(Cryptosporidium parvum)
BDBM50148631
PNG
(CHEMBL3769918 | US9518026, Example 41 | US9956214,...)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)C)c(N)c1C(N)=O
Show InChI InChI=1S/C19H23N5O2/c1-4-26-14-6-5-12-7-13(9-22-15(12)8-14)17-16(19(21)25)18(20)24(23-17)10-11(2)3/h5-9,11H,4,10,20H2,1-3H3,(H2,21,25)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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)


BindingDB Entry DOI: 10.7270/Q2BV7JN4
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50148631
PNG
(CHEMBL3769918 | US9518026, Example 41 | US9956214,...)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)C)c(N)c1C(N)=O
Show InChI InChI=1S/C19H23N5O2/c1-4-26-14-6-5-12-7-13(9-22-15(12)8-14)17-16(19(21)25)18(20)24(23-17)10-11(2)3/h5-9,11H,4,10,20H2,1-3H3,(H2,21,25)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8n/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)


BindingDB Entry DOI: 10.7270/Q2BV7JN4
More data for this
Ligand-Target Pair
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)
BDBM50148631
PNG
(CHEMBL3769918 | US9518026, Example 41 | US9956214,...)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)C)c(N)c1C(N)=O
Show InChI InChI=1S/C19H23N5O2/c1-4-26-14-6-5-12-7-13(9-22-15(12)8-14)17-16(19(21)25)18(20)24(23-17)10-11(2)3/h5-9,11H,4,10,20H2,1-3H3,(H2,21,25)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.



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...


Bioorg Med Chem Lett 19: 1199-205 (2009)


BindingDB Entry DOI: 10.7270/Q23J3G91
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50148631
PNG
(CHEMBL3769918 | US9518026, Example 41 | US9956214,...)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)C)c(N)c1C(N)=O
Show InChI InChI=1S/C19H23N5O2/c1-4-26-14-6-5-12-7-13(9-22-15(12)8-14)17-16(19(21)25)18(20)24(23-17)10-11(2)3/h5-9,11H,4,10,20H2,1-3H3,(H2,21,25)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 28n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.



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...


Bioorg Med Chem Lett 19: 1199-205 (2009)


BindingDB Entry DOI: 10.7270/Q23J3G91
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50148631
PNG
(CHEMBL3769918 | US9518026, Example 41 | US9956214,...)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)C)c(N)c1C(N)=O
Show InChI InChI=1S/C19H23N5O2/c1-4-26-14-6-5-12-7-13(9-22-15(12)8-14)17-16(19(21)25)18(20)24(23-17)10-11(2)3/h5-9,11H,4,10,20H2,1-3H3,(H2,21,25)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/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