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Found 123 hits Enz. Inhib. hit(s) with Target = 'Calmodulin-domain protein kinase 1' AND taxid = 5811   
Target
(Institution)
LigandTarget
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)
BDBM50446179
PNG
(CHEMBL3109011)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C19H23N5O2/c1-5-26-13-7-6-11-8-12(10-22-14(11)9-13)16-15(18(21)25)17(20)24(23-16)19(2,3)4/h6-10H,5,20H2,1-4H3,(H2,21,25)
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50446181
PNG
(CHEMBL3108912)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H20N4O/c1-18(2,3)22-16(19)14(17(20)23)15(21-22)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,19H2,1-3H3,(H2,20,23)
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TBA

Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


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


(Toxoplasma gondii)
BDBM50446180
PNG
(CHEMBL3108998)
Show SMILES COc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C19H22N4O2/c1-19(2,3)23-17(20)15(18(21)24)16(22-23)13-6-5-12-10-14(25-4)8-7-11(12)9-13/h5-10H,20H2,1-4H3,(H2,21,24)
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TBA

Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


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


(Toxoplasma gondii)
BDBM50345725
PNG
(3-(3,4-dichlorophenyl)-1-isopropyl-1H-pyrazolo[3,4...)
Show SMILES CC(C)n1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)ncnc12
Show InChI InChI=1S/C14H13Cl2N5/c1-7(2)21-14-11(13(17)18-6-19-14)12(20-21)8-3-4-9(15)10(16)5-8/h3-7H,1-2H3,(H2,17,18,19)
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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...


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


(Toxoplasma gondii)
BDBM50446177
PNG
(CHEMBL3108991)
Show SMILES NC(=O)c1c(N)n(CC(F)(F)F)nc1-c1ccc2ccccc2c1
Show InChI InChI=1S/C16H13F3N4O/c17-16(18,19)8-23-14(20)12(15(21)24)13(22-23)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8,20H2,(H2,21,24)
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TBA

Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


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


(Toxoplasma gondii)
BDBM50446178
PNG
(CHEMBL3108913)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C20H24N4O2/c1-5-26-15-9-8-12-10-14(7-6-13(12)11-15)17-16(19(22)25)18(21)24(23-17)20(2,3)4/h6-11H,5,21H2,1-4H3,(H2,22,25)
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Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


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


(Toxoplasma gondii)
BDBM50446176
PNG
(CHEMBL3108996)
Show SMILES NC(=O)c1c(N)n(CCN2CCOCC2)nc1-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H23N5O2/c21-19-17(20(22)26)18(16-6-5-14-3-1-2-4-15(14)13-16)23-25(19)8-7-24-9-11-27-12-10-24/h1-6,13H,7-12,21H2,(H2,22,26)
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Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


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


(Toxoplasma gondii)
BDBM50345740
PNG
(3-(6-ethoxynaphthalen-2-yl)-1-isopropyl-1H-pyrazol...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C20H21N5O/c1-4-26-16-8-7-13-9-15(6-5-14(13)10-16)18-17-19(21)22-11-23-20(17)25(24-18)12(2)3/h5-12H,4H2,1-3H3,(H2,21,22,23)
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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...


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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50345738
PNG
(1-isopropyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]...)
Show SMILES CC(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C18H17N5/c1-11(2)23-18-15(17(19)20-10-21-18)16(22-23)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H2,19,20,21)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50345735
PNG
(1-isopropyl-3-(4-methoxy-3-methylphenyl)-1H-pyrazo...)
Show SMILES COc1ccc(cc1C)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C16H19N5O/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)11-5-6-12(22-4)10(3)7-11/h5-9H,1-4H3,(H2,17,18,19)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50345739
PNG
(1-isopropyl-3-(6-methoxynaphthalen-2-yl)-1H-pyrazo...)
Show SMILES COc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C19H19N5O/c1-11(2)24-19-16(18(20)21-10-22-19)17(23-24)14-5-4-13-9-15(25-3)7-6-12(13)8-14/h4-11H,1-3H3,(H2,20,21,22)
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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...


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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50446174
PNG
(CHEMBL3109010)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2ccccc2c1
Show InChI InChI=1S/C17H19N5O/c1-17(2,3)22-15(18)13(16(19)23)14(21-22)11-8-10-6-4-5-7-12(10)20-9-11/h4-9H,18H2,1-3H3,(H2,19,23)
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TBA

Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


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


(Toxoplasma gondii)
BDBM50446175
PNG
(CHEMBL3108986)
Show SMILES CC(C)n1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
Show InChI InChI=1S/C17H18N4O/c1-10(2)21-16(18)14(17(19)22)15(20-21)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,18H2,1-2H3,(H2,19,22)
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Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


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


(Toxoplasma gondii)
BDBM50446173
PNG
(CHEMBL3108988)
Show SMILES NC(=O)c1c(N)n(CC2CC2)nc1-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H18N4O/c19-17-15(18(20)23)16(21-22(17)10-11-5-6-11)14-8-7-12-3-1-2-4-13(12)9-14/h1-4,7-9,11H,5-6,10,19H2,(H2,20,23)
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Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


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


(Toxoplasma gondii)
BDBM50446171
PNG
(CHEMBL3108999)
Show SMILES CCCOc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C21H26N4O2/c1-5-10-27-16-9-8-13-11-15(7-6-14(13)12-16)18-17(20(23)26)19(22)25(24-18)21(2,3)4/h6-9,11-12H,5,10,22H2,1-4H3,(H2,23,26)
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Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


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


(Toxoplasma gondii)
BDBM50446172
PNG
(CHEMBL3108997)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C18H20N4O2/c1-18(2,3)22-16(19)14(17(20)24)15(21-22)12-5-4-11-9-13(23)7-6-10(11)8-12/h4-9,23H,19H2,1-3H3,(H2,20,24)
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Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


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


(Toxoplasma gondii)
BDBM50446170
PNG
(CHEMBL3108985)
Show SMILES CCn1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
Show InChI InChI=1S/C16H16N4O/c1-2-20-15(17)13(16(18)21)14(19-20)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2,17H2,1H3,(H2,18,21)
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Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


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


(Toxoplasma gondii)
BDBM50446169
PNG
(CHEMBL3108987)
Show SMILES CC(C)Cn1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H20N4O/c1-11(2)10-22-17(19)15(18(20)23)16(21-22)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10,19H2,1-2H3,(H2,20,23)
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Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


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


(Toxoplasma gondii)
BDBM50345730
PNG
(3-(3,4-dimethylphenyl)-1-isopropyl-1H-pyrazolo[3,4...)
Show SMILES CC(C)n1nc(-c2ccc(C)c(C)c2)c2c(N)ncnc12
Show InChI InChI=1S/C16H19N5/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)12-6-5-10(3)11(4)7-12/h5-9H,1-4H3,(H2,17,18,19)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50345731
PNG
(3-(4-fluoro-3-methylphenyl)-1-isopropyl-1H-pyrazol...)
Show SMILES CC(C)n1nc(-c2ccc(F)c(C)c2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16FN5/c1-8(2)21-15-12(14(17)18-7-19-15)13(20-21)10-4-5-11(16)9(3)6-10/h4-8H,1-3H3,(H2,17,18,19)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50446168
PNG
(CHEMBL3109009)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2ncccc2c1
Show InChI InChI=1S/C17H19N5O/c1-17(2,3)22-15(18)13(16(19)23)14(21-22)11-6-7-12-10(9-11)5-4-8-20-12/h4-9H,18H2,1-3H3,(H2,19,23)
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Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


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


(Toxoplasma gondii)
BDBM50446167
PNG
(CHEMBL3108916)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c(N)c1C(N)=O
Show InChI InChI=1S/C23H29N5O2/c1-3-30-19-7-6-16-12-18(5-4-17(16)13-19)21-20(23(25)29)22(24)28(26-21)14-15-8-10-27(2)11-9-15/h4-7,12-13,15H,3,8-11,14,24H2,1-2H3,(H2,25,29)
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Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


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


(Toxoplasma gondii)
BDBM50446166
PNG
(CHEMBL3108990)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc2ccccc2c1)C1CCCCC1
Show InChI InChI=1S/C20H22N4O/c21-19-17(20(22)25)18(23-24(19)16-8-2-1-3-9-16)15-11-10-13-6-4-5-7-14(13)12-15/h4-7,10-12,16H,1-3,8-9,21H2,(H2,22,25)
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Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


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


(Toxoplasma gondii)
BDBM50446165
PNG
(CHEMBL3108992)
Show SMILES CC(C)(C)Cn1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H22N4O/c1-19(2,3)11-23-17(20)15(18(21)24)16(22-23)14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,11,20H2,1-3H3,(H2,21,24)
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Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


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Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50345728
PNG
(1-isopropyl-3-p-tolyl-1H-pyrazolo[3,4-d]pyrimidin-...)
Show SMILES CC(C)n1nc(-c2ccc(C)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H17N5/c1-9(2)20-15-12(14(16)17-8-18-15)13(19-20)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H2,16,17,18)
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n/an/a 13n/an/an/an/an/an/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...


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


(Toxoplasma gondii)
BDBM50345727
PNG
(1-isopropyl-3-(3-isopropylphenyl)-1H-pyrazolo[3,4-...)
Show SMILES CC(C)c1cccc(c1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C17H21N5/c1-10(2)12-6-5-7-13(8-12)15-14-16(18)19-9-20-17(14)22(21-15)11(3)4/h5-11H,1-4H3,(H2,18,19,20)
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n/an/a 14n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50383378
PNG
(CHEMBL2030561)
Show SMILES Nc1nc2ccc(cc2n1CC1CCNCC1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H22N4O/c21-20-23-17-7-6-16(19(25)15-4-2-1-3-5-15)12-18(17)24(20)13-14-8-10-22-11-9-14/h1-7,12,14,22H,8-11,13H2,(H2,21,23)
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n/an/a 15n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50345704
PNG
(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)
Show SMILES CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-9-8-12-6-4-5-7-13(12)10-14/h4-11H,1-3H3,(H2,20,21,22)
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n/an/a 15n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50345712
PNG
(3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)...)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Cc3cccc4ccccc34)c12
Show InChI InChI=1S/C22H24N6/c23-21-20-19(12-17-6-3-5-16-4-1-2-7-18(16)17)27-28(22(20)26-14-25-21)13-15-8-10-24-11-9-15/h1-7,14-15,24H,8-13H2,(H2,23,25,26)
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n/an/a 15n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50446164
PNG
(CHEMBL3108995)
Show SMILES NC(=O)c1c(N)n(CCO)nc1-c1ccc2ccccc2c1
Show InChI InChI=1S/C16H16N4O2/c17-15-13(16(18)22)14(19-20(15)7-8-21)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,21H,7-8,17H2,(H2,18,22)
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


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


(Toxoplasma gondii)
BDBM50446163
PNG
(CHEMBL3109002)
Show SMILES Cn1nc(N)c2ccc(cc12)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C16H21N7O/c1-16(2,3)23-14(18)11(15(19)24)12(20-23)8-5-6-9-10(7-8)22(4)21-13(9)17/h5-7H,18H2,1-4H3,(H2,17,21)(H2,19,24)
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TBA

Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


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


(Toxoplasma gondii)
BDBM50345745
PNG
(3-(chroman-6-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyr...)
Show SMILES CC(C)n1nc(-c2ccc3OCCCc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C17H19N5O/c1-10(2)22-17-14(16(18)19-9-20-17)15(21-22)12-5-6-13-11(8-12)4-3-7-23-13/h5-6,8-10H,3-4,7H2,1-2H3,(H2,18,19,20)
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n/an/a 17n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50388038
PNG
(CHEMBL2059171)
Show SMILES O=C(CCCC1CCNCC1)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
Show InChI InChI=1S/C23H26N4O2/c28-21(8-4-5-16-11-13-24-14-12-16)27-23-25-19-10-9-18(15-20(19)26-23)22(29)17-6-2-1-3-7-17/h1-3,6-7,9-10,15-16,24H,4-5,8,11-14H2,(H2,25,26,27,28)
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n/an/a 18n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50345723
PNG
(3-(4-chlorophenyl)-1-isopropyl-1H-pyrazolo[3,4-d]p...)
Show SMILES CC(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C14H14ClN5/c1-8(2)20-14-11(13(16)17-7-18-14)12(19-20)9-3-5-10(15)6-4-9/h3-8H,1-2H3,(H2,16,17,18)
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n/an/a 18n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50345729
PNG
(1-isopropyl-3-m-tolyl-1H-pyrazolo[3,4-d]pyrimidin-...)
Show SMILES CC(C)n1nc(-c2cccc(C)c2)c2c(N)ncnc12
Show InChI InChI=1S/C15H17N5/c1-9(2)20-15-12(14(16)17-8-18-15)13(19-20)11-6-4-5-10(3)7-11/h4-9H,1-3H3,(H2,16,17,18)
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n/an/a 19n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50345724
PNG
(3-(3-chlorophenyl)-1-isopropyl-1H-pyrazolo[3,4-d]p...)
Show SMILES CC(C)n1nc(-c2cccc(Cl)c2)c2c(N)ncnc12
Show InChI InChI=1S/C14H14ClN5/c1-8(2)20-14-11(13(16)17-7-18-14)12(19-20)9-4-3-5-10(15)6-9/h3-8H,1-2H3,(H2,16,17,18)
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n/an/a 20n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50388047
PNG
(CHEMBL2059176)
Show SMILES Nc1nc2ccc(cc2n1CCC1CCNCC1)C(=O)c1ccccc1
Show InChI InChI=1S/C21H24N4O/c22-21-24-18-7-6-17(20(26)16-4-2-1-3-5-16)14-19(18)25(21)13-10-15-8-11-23-12-9-15/h1-7,14-15,23H,8-13H2,(H2,22,24)
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n/an/a 20n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50388035
PNG
(CHEMBL2059168)
Show SMILES NCCCCCCC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
Show InChI InChI=1S/C21H24N4O2/c22-13-7-2-1-6-10-19(26)25-21-23-17-12-11-16(14-18(17)24-21)20(27)15-8-4-3-5-9-15/h3-5,8-9,11-12,14H,1-2,6-7,10,13,22H2,(H2,23,24,25,26)
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n/an/a 22n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50345742
PNG
(1-isopropyl-3-(quinolin-3-yl)-1H-pyrazolo[3,4-d]py...)
Show SMILES CC(C)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-7-11-5-3-4-6-13(11)19-8-12/h3-10H,1-2H3,(H2,18,20,21)
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n/an/a 24n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50446162
PNG
(CHEMBL3108993)
Show SMILES CN1CCC(CC1)n1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H23N5O/c1-24-10-8-16(9-11-24)25-19(21)17(20(22)26)18(23-25)15-7-6-13-4-2-3-5-14(13)12-15/h2-7,12,16H,8-11,21H2,1H3,(H2,22,26)
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n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50388041
PNG
(CHEMBL2059353)
Show SMILES Nc1nc2ccc(cc2n1CC[C@@H]1CCCN1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H22N4O/c21-20-23-17-9-8-15(19(25)14-5-2-1-3-6-14)13-18(17)24(20)12-10-16-7-4-11-22-16/h1-3,5-6,8-9,13,16,22H,4,7,10-12H2,(H2,21,23)/t16-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50388040
PNG
(CHEMBL2059177)
Show SMILES CN1CCC(CCn2c(N)nc3ccc(cc23)C(=O)c2ccccc2)CC1
Show InChI InChI=1S/C22H26N4O/c1-25-12-9-16(10-13-25)11-14-26-20-15-18(7-8-19(20)24-22(26)23)21(27)17-5-3-2-4-6-17/h2-8,15-16H,9-14H2,1H3,(H2,23,24)
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n/an/a 30n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50298225
PNG
(CHEMBL2069955 | CHEMBL573578 | NM-PP1)
Show SMILES CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C20H21N5/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,21,22,23)
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n/an/a 31n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50446161
PNG
(CHEMBL3109003)
Show SMILES Cn1ncc2cc(ccc12)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C16H20N6O/c1-16(2,3)22-14(17)12(15(18)23)13(20-22)9-5-6-11-10(7-9)8-19-21(11)4/h5-8H,17H2,1-4H3,(H2,18,23)
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TBA

Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50446160
PNG
(CHEMBL3109006)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C17H18N4O3/c1-17(2,3)21-15(18)13(16(19)23)14(20-21)10-4-6-11-9(8-10)5-7-12(22)24-11/h4-8H,18H2,1-3H3,(H2,19,23)
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Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50446159
PNG
(CHEMBL3108915)
Show SMILES NC(=O)c1c(N)n(CC2CCNCC2)nc1-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H23N5O/c21-19-17(20(22)26)18(24-25(19)12-13-7-9-23-10-8-13)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11,13,23H,7-10,12,21H2,(H2,22,26)
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TBA

Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50446158
PNG
(CHEMBL3108917)
Show SMILES COc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c(N)c1C(N)=O
Show InChI InChI=1S/C22H27N5O2/c1-26-9-7-14(8-10-26)13-27-21(23)19(22(24)28)20(25-27)17-4-3-16-12-18(29-2)6-5-15(16)11-17/h3-6,11-12,14H,7-10,13,23H2,1-2H3,(H2,24,28)
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Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50345717
PNG
(1-(1-ethylpiperidin-4-yl)-3-(naphthalen-1-ylmethyl...)
Show SMILES CCN1CCC(CC1)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C23H26N6/c1-2-28-12-10-18(11-13-28)29-23-21(22(24)25-15-26-23)20(27-29)14-17-8-5-7-16-6-3-4-9-19(16)17/h3-9,15,18H,2,10-14H2,1H3,(H2,24,25,26)
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n/an/a 36n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50345733
PNG
(3-(3,4-dimethoxyphenyl)-1-isopropyl-1H-pyrazolo[3,...)
Show SMILES COc1ccc(cc1OC)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C16H19N5O2/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)10-5-6-11(22-3)12(7-10)23-4/h5-9H,1-4H3,(H2,17,18,19)
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n/an/a 37n/an/an/an/an/an/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...


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Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50446157
PNG
(CHEMBL3108994)
Show SMILES CN1CCC(Cn2nc(c(C(N)=O)c2N)-c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C21H25N5O/c1-25-10-8-14(9-11-25)13-26-20(22)18(21(23)27)19(24-26)17-7-6-15-4-2-3-5-16(15)12-17/h2-7,12,14H,8-11,13,22H2,1H3,(H2,23,27)
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n/an/a 39n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


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Ligand-Target Pair
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