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20 similar compounds to monomer 50446181

Compile data set for download or QSAR
Wt: 348.4
BDBM50446154
Wt: 313.3
BDBM50446156
Wt: 363.4
BDBM50446157
Wt: 349.4
BDBM50446159
Wt: 312.3
BDBM50446161
Wt: 349.4
BDBM50446162
Wt: 296.3
BDBM50446164
Wt: 322.4
BDBM50446165
Wt: 334.4
BDBM50446166
Wt: 309.3
BDBM50446168
Wt: 308.3
BDBM50446169
Wt: 280.3
BDBM50446170
Wt: 366.4
BDBM50446171
Wt: 324.3
BDBM50446172
Wt: 306.3
BDBM50446173
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 46 hits for monomerid = 50446154,50446156,50446157,50446159,50446161,50446162,50446164,50446165,50446166,50446168,50446169,50446170,50446171,50446172,50446173   
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)
BDBM50446154
PNG
(CHEMBL3108989 | US9518026, Example 16)
Show SMILES NC(=O)c1c(N)n(CC2CCCCC2)nc1-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H24N4O/c22-20-18(21(23)26)19(24-25(20)13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h4-5,8-12,14H,1-3,6-7,13,22H2,(H2,23,26)
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TBA

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


Citation and Details

Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase (CDPK1)


(Cryptosporidium parvum)
BDBM50446168
PNG
(CHEMBL3109009 | US9518026, Example 37)
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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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)
BDBM50446157
PNG
(CHEMBL3108994 | US9518026, Example 21)
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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Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


Citation and Details

Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446159
PNG
(CHEMBL3108915 | US9518026, Example 6)
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

Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446161
PNG
(CHEMBL3109003 | US9518026, Example 30)
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

Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446162
PNG
(CHEMBL3108993 | US9518026, Example 20)
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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TBA

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


Citation and Details

Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446164
PNG
(CHEMBL3108995 | US9518026, Example 22)
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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TBA

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


Citation and Details

Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446165
PNG
(CHEMBL3108992 | US9518026, Example 19)
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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TBA

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


Citation and Details

Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446166
PNG
(CHEMBL3108990 | US9518026, Example 17)
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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TBA

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


Citation and Details

Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446168
PNG
(CHEMBL3109009 | US9518026, Example 37)
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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TBA

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


Citation and Details

Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446169
PNG
(CHEMBL3108987 | US9518026, Example 14)
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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TBA

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


Citation and Details

Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446170
PNG
(CHEMBL3108985 | US9518026, Example 12)
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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TBA

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


Citation and Details

Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446171
PNG
(CHEMBL3108999 | US9518026, Example 26)
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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TBA

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


Citation and Details

Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446172
PNG
(CHEMBL3108997 | US9518026, Example 24)
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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TBA

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


Citation and Details

Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446173
PNG
(CHEMBL3108988 | US9518026, Example 15)
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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TBA

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


Citation and Details

Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446172
PNG
(CHEMBL3108997 | US9518026, Example 24)
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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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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50446172
PNG
(CHEMBL3108997 | US9518026, Example 24)
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)
KEGG

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University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ERG


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
CGMP-dependent protein kinase


(Plasmodium falciparum)
BDBM50446172
PNG
(CHEMBL3108997 | US9518026, Example 24)
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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University of Washington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum PKG assessed as decrease in depletion of ATP 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)
BDBM50446159
PNG
(CHEMBL3108915 | US9518026, Example 6)
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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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)
BDBM50446159
PNG
(CHEMBL3108915 | US9518026, Example 6)
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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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)
BDBM50446170
PNG
(CHEMBL3108985 | US9518026, Example 12)
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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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)
BDBM50446170
PNG
(CHEMBL3108985 | US9518026, Example 12)
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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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)
BDBM50446169
PNG
(CHEMBL3108987 | US9518026, Example 14)
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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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)
BDBM50446169
PNG
(CHEMBL3108987 | US9518026, Example 14)
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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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)
BDBM50446173
PNG
(CHEMBL3108988 | US9518026, Example 15)
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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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)
BDBM50446173
PNG
(CHEMBL3108988 | US9518026, Example 15)
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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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)
BDBM50446154
PNG
(CHEMBL3108989 | US9518026, Example 16)
Show SMILES NC(=O)c1c(N)n(CC2CCCCC2)nc1-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H24N4O/c22-20-18(21(23)26)19(24-25(20)13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h4-5,8-12,14H,1-3,6-7,13,22H2,(H2,23,26)
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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)
BDBM50446154
PNG
(CHEMBL3108989 | US9518026, Example 16)
Show SMILES NC(=O)c1c(N)n(CC2CCCCC2)nc1-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H24N4O/c22-20-18(21(23)26)19(24-25(20)13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h4-5,8-12,14H,1-3,6-7,13,22H2,(H2,23,26)
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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)
BDBM50446166
PNG
(CHEMBL3108990 | US9518026, Example 17)
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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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)
BDBM50446166
PNG
(CHEMBL3108990 | US9518026, Example 17)
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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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)
BDBM50446165
PNG
(CHEMBL3108992 | US9518026, Example 19)
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 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)
BDBM50446165
PNG
(CHEMBL3108992 | US9518026, Example 19)
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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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)
BDBM50446162
PNG
(CHEMBL3108993 | US9518026, Example 20)
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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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)
BDBM50446162
PNG
(CHEMBL3108993 | US9518026, Example 20)
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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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)
BDBM50446157
PNG
(CHEMBL3108994 | US9518026, Example 21)
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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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)
BDBM50446157
PNG
(CHEMBL3108994 | US9518026, Example 21)
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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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)
BDBM50446164
PNG
(CHEMBL3108995 | US9518026, Example 22)
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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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)
BDBM50446164
PNG
(CHEMBL3108995 | US9518026, Example 22)
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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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)
BDBM50446172
PNG
(CHEMBL3108997 | US9518026, Example 24)
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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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)
BDBM50446172
PNG
(CHEMBL3108997 | US9518026, Example 24)
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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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)
BDBM50446171
PNG
(CHEMBL3108999 | US9518026, Example 26)
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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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)
BDBM50446171
PNG
(CHEMBL3108999 | US9518026, Example 26)
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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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)
BDBM50446161
PNG
(CHEMBL3109003 | US9518026, Example 30)
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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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)
BDBM50446161
PNG
(CHEMBL3109003 | US9518026, Example 30)
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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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)
BDBM50446168
PNG
(CHEMBL3109009 | US9518026, Example 37)
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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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)
BDBM50446156
PNG
(CHEMBL3109001)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2c(N)n[nH]c2c1
Show InChI InChI=1S/C15H19N7O/c1-15(2,3)22-13(17)10(14(18)23)11(21-22)7-4-5-8-9(6-7)19-20-12(8)16/h4-6H,17H2,1-3H3,(H2,18,23)(H3,16,19,20)
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n/an/a 40n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair