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6 similar compounds to monomer 50148637

Compile data set for download or QSAR
Wt: 367.4
BDBM50148633
Wt: 379.3
BDBM50148634
Wt: 351.4
BDBM50148636
Wt: 365.4
BDBM50148638
Wt: 379.4
BDBM50148639
Wt: 393.4
BDBM50148642

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50148633,50148634,50148636,50148638,50148639,50148642   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50148633
PNG
(CHEMBL3769697 | US9518026, Example 42)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)C)c(N)c1C(N)=O
Show InChI InChI=1S/C20H25N5O2/c1-5-27-14-7-6-12-8-13(10-23-15(12)9-14)17-16(19(22)26)18(21)25(24-17)11-20(2,3)4/h6-10H,5,11,21H2,1-4H3,(H2,22,26)
PDB

UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/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
Calmodulin-domain protein kinase (CDPK1)


(Cryptosporidium parvum)
BDBM50148642
PNG
(CHEMBL3770676 | US9518026, Example 50)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC2CCCCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C22H27N5O2/c1-2-29-17-9-8-15-10-16(12-25-18(15)11-17)20-19(22(24)28)21(23)27(26-20)13-14-6-4-3-5-7-14/h8-12,14H,2-7,13,23H2,1H3,(H2,24,28)
PDB

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US Patent
n/an/a 2n/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)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50148636
PNG
(CHEMBL3769685 | US9518026, Example 45)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C19H21N5O2/c1-2-26-14-7-6-11-8-12(10-22-15(11)9-14)17-16(19(21)25)18(20)24(23-17)13-4-3-5-13/h6-10,13H,2-5,20H2,1H3,(H2,21,25)
PDB

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PC sid
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Article
PubMed
n/an/a 12n/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
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50148638
PNG
(CHEMBL3769623 | US9518026, Example 46)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C20H23N5O2/c1-2-27-15-8-7-12-9-13(11-23-16(12)10-15)18-17(20(22)26)19(21)25(24-18)14-5-3-4-6-14/h7-11,14H,2-6,21H2,1H3,(H2,22,26)
PDB

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Article
PubMed
n/an/a 11n/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
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50148639
PNG
(CHEMBL3770760 | US9518026, Example 47)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C21H25N5O2/c1-2-28-16-9-8-13-10-14(12-24-17(13)11-16)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)
PDB

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Article
PubMed
n/an/a 8n/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
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50148642
PNG
(CHEMBL3770676 | US9518026, Example 50)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC2CCCCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C22H27N5O2/c1-2-29-17-9-8-15-10-16(12-25-18(15)11-17)20-19(22(24)28)21(23)27(26-20)13-14-6-4-3-5-7-14/h8-12,14H,2-7,13,23H2,1H3,(H2,24,28)
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UniChem

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Article
PubMed
n/an/a 80n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50148636
PNG
(CHEMBL3769685 | US9518026, Example 45)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C19H21N5O2/c1-2-26-14-7-6-11-8-12(10-22-15(11)9-14)17-16(19(21)25)18(20)24(23-17)13-4-3-5-13/h6-10,13H,2-5,20H2,1H3,(H2,21,25)
PDB
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KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC using Ac-EIYGEFKKK as substrate after 90 mins by luciferase reporter assay


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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50148638
PNG
(CHEMBL3769623 | US9518026, Example 46)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C20H23N5O2/c1-2-27-15-8-7-12-9-13(11-23-16(12)10-15)18-17(20(22)26)19(21)25(24-18)14-5-3-4-6-14/h7-11,14H,2-6,21H2,1H3,(H2,22,26)
PDB
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UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC using Ac-EIYGEFKKK as substrate after 90 mins by luciferase reporter assay


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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50148639
PNG
(CHEMBL3770760 | US9518026, Example 47)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C21H25N5O2/c1-2-28-16-9-8-13-10-14(12-24-17(13)11-16)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)
PDB
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KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC using Ac-EIYGEFKKK as substrate after 90 mins by luciferase reporter assay


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
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50148639
PNG
(CHEMBL3770760 | US9518026, Example 47)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C21H25N5O2/c1-2-28-16-9-8-13-10-14(12-24-17(13)11-16)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Toxoplasma gondii CDPK1 using Syntide 2 as substrate assessed as decrease in depletion of ATP after 90 mins by Kinase glo l...


Bioorg Med Chem Lett 26: 5487-5491 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.014
BindingDB Entry DOI: 10.7270/Q2J968BR
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50148634
PNG
(CHEMBL3769900 | US9518026, Example 43)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(F)(F)F)c(N)c1C(N)=O
Show InChI InChI=1S/C17H16F3N5O2/c1-2-27-11-4-3-9-5-10(7-23-12(9)6-11)14-13(16(22)26)15(21)25(24-14)8-17(18,19)20/h3-7H,2,8,21H2,1H3,(H2,22,26)
PDB

UniProtKB/TrEMBL

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PC sid
UniChem

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Article
PubMed
n/an/a 13n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Toxoplasma gondii CDPK1 using Syntide 2 as substrate assessed as decrease in depletion of ATP after 90 mins by Kinase glo l...


Bioorg Med Chem Lett 26: 5487-5491 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.014
BindingDB Entry DOI: 10.7270/Q2J968BR
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50148638
PNG
(CHEMBL3769623 | US9518026, Example 46)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C20H23N5O2/c1-2-27-15-8-7-12-9-13(11-23-16(12)10-15)18-17(20(22)26)19(21)25(24-18)14-5-3-4-6-14/h7-11,14H,2-6,21H2,1H3,(H2,22,26)
PDB

UniProtKB/TrEMBL

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PC sid
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Article
PubMed
n/an/a 11n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Toxoplasma gondii CDPK1 using Syntide 2 as substrate assessed as decrease in depletion of ATP after 90 mins by Kinase glo l...


Bioorg Med Chem Lett 26: 5487-5491 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.014
BindingDB Entry DOI: 10.7270/Q2J968BR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50148638
PNG
(CHEMBL3769623 | US9518026, Example 46)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C20H23N5O2/c1-2-27-15-8-7-12-9-13(11-23-16(12)10-15)18-17(20(22)26)19(21)25(24-18)14-5-3-4-6-14/h7-11,14H,2-6,21H2,1H3,(H2,22,26)
PDB
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KEGG

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UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC using Ac-EIYGEFKKK as substrate after 90 mins by Kinase glo luciferase assay


Bioorg Med Chem Lett 26: 5487-5491 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.014
BindingDB Entry DOI: 10.7270/Q2J968BR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50148634
PNG
(CHEMBL3769900 | US9518026, Example 43)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(F)(F)F)c(N)c1C(N)=O
Show InChI InChI=1S/C17H16F3N5O2/c1-2-27-11-4-3-9-5-10(7-23-12(9)6-11)14-13(16(22)26)15(21)25(24-14)8-17(18,19)20/h3-7H,2,8,21H2,1H3,(H2,22,26)
PDB
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UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC using Ac-EIYGEFKKK as substrate after 90 mins by Kinase glo luciferase assay


Bioorg Med Chem Lett 26: 5487-5491 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.014
BindingDB Entry DOI: 10.7270/Q2J968BR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50148639
PNG
(CHEMBL3770760 | US9518026, Example 47)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C21H25N5O2/c1-2-28-16-9-8-13-10-14(12-24-17(13)11-16)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)
PDB
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KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC using Ac-EIYGEFKKK as substrate after 90 mins by Kinase glo luciferase assay


Bioorg Med Chem Lett 26: 5487-5491 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.014
BindingDB Entry DOI: 10.7270/Q2J968BR
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50148633
PNG
(CHEMBL3769697 | US9518026, Example 42)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)C)c(N)c1C(N)=O
Show InChI InChI=1S/C20H25N5O2/c1-5-27-14-7-6-12-8-13(10-23-15(12)9-14)17-16(19(22)26)18(21)25(24-17)11-20(2,3)4/h6-10H,5,11,21H2,1-4H3,(H2,22,26)
PDB

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US Patent
n/an/a 28n/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)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase (CDPK1)


(Cryptosporidium parvum)
BDBM50148633
PNG
(CHEMBL3769697 | US9518026, Example 42)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)C)c(N)c1C(N)=O
Show InChI InChI=1S/C20H25N5O2/c1-5-27-14-7-6-12-8-13(10-23-15(12)9-14)17-16(19(22)26)18(21)25(24-17)11-20(2,3)4/h6-10H,5,11,21H2,1-4H3,(H2,22,26)
PDB

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PC sid
UniChem

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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)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50148634
PNG
(CHEMBL3769900 | US9518026, Example 43)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(F)(F)F)c(N)c1C(N)=O
Show InChI InChI=1S/C17H16F3N5O2/c1-2-27-11-4-3-9-5-10(7-23-12(9)6-11)14-13(16(22)26)15(21)25(24-14)8-17(18,19)20/h3-7H,2,8,21H2,1H3,(H2,22,26)
PDB

UniProtKB/TrEMBL

GoogleScholar
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PC sid
UniChem

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US Patent
n/an/a 21n/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)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase (CDPK1)


(Cryptosporidium parvum)
BDBM50148634
PNG
(CHEMBL3769900 | US9518026, Example 43)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(F)(F)F)c(N)c1C(N)=O
Show InChI InChI=1S/C17H16F3N5O2/c1-2-27-11-4-3-9-5-10(7-23-12(9)6-11)14-13(16(22)26)15(21)25(24-14)8-17(18,19)20/h3-7H,2,8,21H2,1H3,(H2,22,26)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7n/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)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50148636
PNG
(CHEMBL3769685 | US9518026, Example 45)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C19H21N5O2/c1-2-26-14-7-6-11-8-12(10-22-15(11)9-14)17-16(19(21)25)18(20)24(23-17)13-4-3-5-13/h6-10,13H,2-5,20H2,1H3,(H2,21,25)
PDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 12n/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)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase (CDPK1)


(Cryptosporidium parvum)
BDBM50148636
PNG
(CHEMBL3769685 | US9518026, Example 45)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C19H21N5O2/c1-2-26-14-7-6-11-8-12(10-22-15(11)9-14)17-16(19(21)25)18(20)24(23-17)13-4-3-5-13/h6-10,13H,2-5,20H2,1H3,(H2,21,25)
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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)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50148638
PNG
(CHEMBL3769623 | US9518026, Example 46)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C20H23N5O2/c1-2-27-15-8-7-12-9-13(11-23-16(12)10-15)18-17(20(22)26)19(21)25(24-18)14-5-3-4-6-14/h7-11,14H,2-6,21H2,1H3,(H2,22,26)
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n/an/a 12n/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)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase (CDPK1)


(Cryptosporidium parvum)
BDBM50148638
PNG
(CHEMBL3769623 | US9518026, Example 46)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C20H23N5O2/c1-2-27-15-8-7-12-9-13(11-23-16(12)10-15)18-17(20(22)26)19(21)25(24-18)14-5-3-4-6-14/h7-11,14H,2-6,21H2,1H3,(H2,22,26)
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n/an/a 3n/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)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50148639
PNG
(CHEMBL3770760 | US9518026, Example 47)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C21H25N5O2/c1-2-28-16-9-8-13-10-14(12-24-17(13)11-16)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)
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n/an/a 11n/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)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase (CDPK1)


(Cryptosporidium parvum)
BDBM50148639
PNG
(CHEMBL3770760 | US9518026, Example 47)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C21H25N5O2/c1-2-28-16-9-8-13-10-14(12-24-17(13)11-16)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)
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n/an/a 4n/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)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50148642
PNG
(CHEMBL3770676 | US9518026, Example 50)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC2CCCCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C22H27N5O2/c1-2-29-17-9-8-15-10-16(12-25-18(15)11-17)20-19(22(24)28)21(23)27(26-20)13-14-6-4-3-5-7-14/h8-12,14H,2-7,13,23H2,1H3,(H2,24,28)
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n/an/a 6n/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)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50148634
PNG
(CHEMBL3769900 | US9518026, Example 43)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(F)(F)F)c(N)c1C(N)=O
Show InChI InChI=1S/C17H16F3N5O2/c1-2-27-11-4-3-9-5-10(7-23-12(9)6-11)14-13(16(22)26)15(21)25(24-14)8-17(18,19)20/h3-7H,2,8,21H2,1H3,(H2,22,26)
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Article
PubMed
n/an/a 13n/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