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USPatent US9956214

Compile Data Set for Download or QSAR

Found 208 hits of Enzyme Inhibition Constant Data   
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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50446179
PNG
(CHEMBL3109011 | US9518026, Example 39 | US9956214,...)
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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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50383379
PNG
(CHEMBL2030552 | CHEMBL2069958 | US9518026, Example...)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4ccccc4c3)c12
Show InChI InChI=1S/C21H22N6/c22-20-18-19(17-6-5-15-3-1-2-4-16(15)11-17)26-27(21(18)25-13-24-20)12-14-7-9-23-10-8-14/h1-6,11,13-14,23H,7-10,12H2,(H2,22,24,25)
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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50389704
PNG
(CHEMBL2070081 | US10544104, Compound 150 | US95180...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H28N6O/c1-3-31-20-7-6-17-12-19(5-4-18(17)13-20)22-21-23(25)26-15-27-24(21)30(28-22)14-16-8-10-29(2)11-9-16/h4-7,12-13,15-16H,3,8-11,14H2,1-2H3,(H2,25,26,27)
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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50446179
PNG
(CHEMBL3109011 | US9518026, Example 39 | US9956214,...)
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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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)		BDBM50446179
PNG
(CHEMBL3109011 | US9518026, Example 39 | US9956214,...)
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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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		3D
3D Structure (crystal)
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50148722
PNG
(CHEMBL3770980 | US9518026, Example 59 | US9956214,...)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC(C)(C)CO)c(N)c1C(N)=O
Show InChI InChI=1S/C20H25N5O3/c1-4-28-15-8-6-12-9-13(5-7-14(12)23-15)17-16(19(22)27)18(21)25(24-17)10-20(2,3)11-26/h5-9,26H,4,10-11,21H2,1-3H3,(H2,22,27)
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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)		BDBM50446180
PNG
(CHEMBL3108998 | US9518026, Example 25 | US9956214,...)
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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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50446180
PNG
(CHEMBL3108998 | US9518026, Example 25 | US9956214,...)
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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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50148652
PNG
(CHEMBL3770802 | US9518026, Example 57 | US9956214,...)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C21H25N5O2/c1-2-28-17-11-9-13-12-14(8-10-16(13)24-17)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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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)		BDBM50446179
PNG
(CHEMBL3109011 | US9518026, Example 39 | US9956214,...)
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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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		3D
3D Structure (crystal)
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50148641
PNG
(CHEMBL3770649 | US9518026, Example 49 | US9956214,...)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCCCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C22H27N5O2/c1-2-29-17-10-9-14-11-15(13-25-18(14)12-17)20-19(22(24)28)21(23)27(26-20)16-7-5-3-4-6-8-16/h9-13,16H,2-8,23H2,1H3,(H2,24,28)
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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)		BDBM50446181
PNG
(CHEMBL3108912 | US9518026, Example 1 | US9956214, ...)
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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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50148650
PNG
(CHEMBL3770142 | US9518026, Example 103 | US9956214...)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C(C)C)c(N)c1C(N)=O
Show InChI InChI=1S/C18H21N5O2/c1-4-25-14-8-6-11-9-12(5-7-13(11)21-14)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)
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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50200560
PNG
(CHEMBL3922900 | US9518026, Example 92 | US9956214,...)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCOC2)c(N)c1C(N)=O
Show InChI InChI=1S/C19H21N5O3/c1-2-27-14-4-3-11-7-12(9-22-15(11)8-14)17-16(19(21)25)18(20)24(23-17)13-5-6-26-10-13/h3-4,7-9,13H,2,5-6,10,20H2,1H3,(H2,21,25)
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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)		BDBM50389704
PNG
(CHEMBL2070081 | US10544104, Compound 150 | US95180...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H28N6O/c1-3-31-20-7-6-17-12-19(5-4-18(17)13-20)22-21-23(25)26-15-27-24(21)30(28-22)14-16-8-10-29(2)11-9-16/h4-7,12-13,15-16H,3,8-11,14H2,1-2H3,(H2,25,26,27)
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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		3D
3D Structure (crystal)
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50148728
PNG
(CHEMBL3770425 | US9518026, Example 65 | US9956214,...)
Show SMILES COc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C18H21N5O2/c1-18(2,3)23-16(19)14(17(20)24)15(22-23)11-7-10-5-6-12(25-4)8-13(10)21-9-11/h5-9H,19H2,1-4H3,(H2,20,24)
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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50148750
PNG
(CHEMBL3770299 | US9518026, Example 71 | US9956214,...)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2nc(OC3CC3)ccc2c1
Show InChI InChI=1S/C20H23N5O2/c1-20(2,3)25-18(21)16(19(22)26)17(24-25)12-4-8-14-11(10-12)5-9-15(23-14)27-13-6-7-13/h4-5,8-10,13H,6-7,21H2,1-3H3,(H2,22,26)
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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50148649
PNG
(CHEMBL3771306 | US9518026, Example 55 | US9956214,...)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C19H23N5O2/c1-5-26-14-9-7-11-10-12(6-8-13(11)22-14)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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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)		BDBM50383379
PNG
(CHEMBL2030552 | CHEMBL2069958 | US9518026, Example...)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4ccccc4c3)c12
Show InChI InChI=1S/C21H22N6/c22-20-18-19(17-6-5-15-3-1-2-4-16(15)11-17)26-27(21(18)25-13-24-20)12-14-7-9-23-10-8-14/h1-6,11,13-14,23H,7-10,12H2,(H2,22,24,25)
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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50148636
PNG
(CHEMBL3769685 | US9518026, Example 45 | US9956214,...)
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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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50148651
PNG
(CHEMBL3771134 | US9518026, Example 56 | US9956214,...)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2CC2)c(N)c1C(N)=O
Show InChI InChI=1S/C19H21N5O2/c1-2-26-15-8-6-12-9-13(5-7-14(12)22-15)17-16(19(21)25)18(20)24(23-17)10-11-3-4-11/h5-9,11H,2-4,10,20H2,1H3,(H2,21,25)
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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM286282
PNG
(US9518026, Example 75 | US9956214, Compound 1656)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc2nc(OC3CCC3)ccc2c1)C1CCC1
Show InChI InChI=1S/C21H23N5O2/c22-20-18(21(23)27)19(25-26(20)14-3-1-4-14)13-7-9-16-12(11-13)8-10-17(24-16)28-15-5-2-6-15/h7-11,14-15H,1-6,22H2,(H2,23,27)
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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50200561
PNG
(CHEMBL3973192 | US9518026, Example 97 | US9956214,...)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C2CCOC2)c(N)c1C(N)=O
Show InChI InChI=1S/C19H21N5O3/c1-2-27-15-6-4-11-9-12(3-5-14(11)22-15)17-16(19(21)25)18(20)24(23-17)13-7-8-26-10-13/h3-6,9,13H,2,7-8,10,20H2,1H3,(H2,21,25)
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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)		BDBM50148751
PNG
(CHEMBL3769798 | US9518026, Example 72 | US9956214,...)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OC3CCC3)ccc2c1
Show InChI InChI=1S/C21H25N5O2/c1-21(2,3)26-19(22)17(20(23)27)18(25-26)13-9-12-7-8-15(10-16(12)24-11-13)28-14-5-4-6-14/h7-11,14H,4-6,22H2,1-3H3,(H2,23,27)
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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50148731
PNG
(CHEMBL3771242 | US9518026, Example 68 | US9956214,...)
Show SMILES CCCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C20H25N5O2/c1-5-8-27-14-7-6-12-9-13(11-23-15(12)10-14)17-16(19(22)26)18(21)25(24-17)20(2,3)4/h6-7,9-11H,5,8,21H2,1-4H3,(H2,22,26)
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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)		BDBM50446177
PNG
(CHEMBL3108991 | US9518026, Example 18 | US9956214,...)
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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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50200563
PNG
(CHEMBL3956316 | US9518026, Example 99 | US9956214,...)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C(C)(C)CO)c(N)c1C(N)=O
Show InChI InChI=1S/C21H27N5O3/c1-5-29-15-7-6-13-8-14(10-24-16(13)9-15)18-17(20(23)28)19(22)26(25-18)12(2)21(3,4)11-27/h6-10,12,27H,5,11,22H2,1-4H3,(H2,23,28)
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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)		BDBM50446178
PNG
(CHEMBL3108913 | US9518026, Example 3 | US9956214, ...)
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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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM286283
PNG
(US9518026, Example 76 | US9956214, Compound 1658)
Show SMILES NC(=O)c1c(N)n(nc1-c1cnc2cc(OC3CCC3)ccc2c1)C1CCCC1
Show InChI InChI=1S/C22H25N5O2/c23-21-19(22(24)28)20(26-27(21)15-4-1-2-5-15)14-10-13-8-9-17(11-18(13)25-12-14)29-16-6-3-7-16/h8-12,15-16H,1-7,23H2,(H2,24,28)
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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)		BDBM50148652
PNG
(CHEMBL3770802 | US9518026, Example 57 | US9956214,...)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C21H25N5O2/c1-2-28-17-11-9-13-12-14(8-10-16(13)24-17)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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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50446178
PNG
(CHEMBL3108913 | US9518026, Example 3 | US9956214, ...)
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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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50148638
PNG
(CHEMBL3769623 | US9518026, Example 46 | US9956214,...)
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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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50446181
PNG
(CHEMBL3108912 | US9518026, Example 1 | US9956214, ...)
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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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50148751
PNG
(CHEMBL3769798 | US9518026, Example 72 | US9956214,...)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OC3CCC3)ccc2c1
Show InChI InChI=1S/C21H25N5O2/c1-21(2,3)26-19(22)17(20(23)27)18(25-26)13-9-12-7-8-15(10-16(12)24-11-13)28-14-5-4-6-14/h7-11,14H,4-6,22H2,1-3H3,(H2,23,27)
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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50148639
PNG
(CHEMBL3770760 | US9518026, Example 47 | US9956214,...)
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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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)		BDBM50148650
PNG
(CHEMBL3770142 | US9518026, Example 103 | US9956214...)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C(C)C)c(N)c1C(N)=O
Show InChI InChI=1S/C18H21N5O2/c1-4-25-14-8-6-11-9-12(5-7-13(11)21-14)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)
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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM286287
PNG
(US9518026, Example 80 | US9956214, Compound 1644)
Show SMILES CC(C)(CO)Cn1nc(c(C(N)=O)c1N)-c1cnc2cc(OC3CCC3)ccc2c1
Show InChI InChI=1S/C22H27N5O3/c1-22(2,12-28)11-27-20(23)18(21(24)29)19(26-27)14-8-13-6-7-16(9-17(13)25-10-14)30-15-4-3-5-15/h6-10,15,28H,3-5,11-12,23H2,1-2H3,(H2,24,29)
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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50200559
PNG
(CHEMBL3922004 | US9518026, Example 94 | US9956214,...)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C(C)C)c(N)c1C(N)=O
Show InChI InChI=1S/C20H25N5O2/c1-5-27-15-7-6-13-8-14(10-23-16(13)9-15)18-17(20(22)26)19(21)25(24-18)12(4)11(2)3/h6-12H,5,21H2,1-4H3,(H2,22,26)
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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)		BDBM50148728
PNG
(CHEMBL3770425 | US9518026, Example 65 | US9956214,...)
Show SMILES COc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C18H21N5O2/c1-18(2,3)23-16(19)14(17(20)24)15(22-23)11-7-10-5-6-12(25-4)8-13(10)21-9-11/h5-9H,19H2,1-4H3,(H2,20,24)
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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50148749
PNG
(CHEMBL3770313 | US9518026, Example 70 | US9956214,...)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OC3CC3)ccc2c1
Show InChI InChI=1S/C20H23N5O2/c1-20(2,3)25-18(21)16(19(22)26)17(24-25)12-8-11-4-5-14(27-13-6-7-13)9-15(11)23-10-12/h4-5,8-10,13H,6-7,21H2,1-3H3,(H2,22,26)
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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...

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


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


(Cryptosporidium parvum)		BDBM50148730
PNG
(CHEMBL3770546 | US9518026, Example 67 | US9956214,...)
Show SMILES CC(C)Oc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C20H25N5O2/c1-11(2)27-14-7-6-12-8-13(10-23-15(12)9-14)17-16(19(22)26)18(21)25(24-17)20(3,4)5/h6-11H,21H2,1-5H3,(H2,22,26)
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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50200558
PNG
(CHEMBL3916476 | US9518026, Example 96 | US9956214,...)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C2CC2)c(N)c1C(N)=O
Show InChI InChI=1S/C20H23N5O2/c1-3-27-15-7-6-13-8-14(10-23-16(13)9-15)18-17(20(22)26)19(21)25(24-18)11(2)12-4-5-12/h6-12H,3-5,21H2,1-2H3,(H2,22,26)
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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50148648
PNG
(CHEMBL3770743 | US9518026, Example 54 | US9956214,...)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)CO)c(N)c1C(N)=O
Show InChI InChI=1S/C20H25N5O3/c1-4-28-14-6-5-12-7-13(9-23-15(12)8-14)17-16(19(22)27)18(21)25(24-17)10-20(2,3)11-26/h5-9,26H,4,10-11,21H2,1-3H3,(H2,22,27)
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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)		BDBM50446176
PNG
(CHEMBL3108996 | US9518026, Example 23 | US9956214,...)
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)
PDB

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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50148632
PNG
(CHEMBL3770409 | US9518026, Example 40 | US9956214,...)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C)c(N)c1C(N)=O
Show InChI InChI=1S/C18H21N5O2/c1-4-25-13-6-5-11-7-12(9-21-14(11)8-13)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)
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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)		BDBM50148752
PNG
(CHEMBL3769990 | US9518026, Example 73 | US9956214,...)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2nc(OC3CCC3)ccc2c1
Show InChI InChI=1S/C21H25N5O2/c1-21(2,3)26-19(22)17(20(23)27)18(25-26)13-7-9-15-12(11-13)8-10-16(24-15)28-14-5-4-6-14/h7-11,14H,4-6,22H2,1-3H3,(H2,23,27)
PDB

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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		3D
3D Structure (crystal)
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50148635
PNG
(CHEMBL3769940 | US9518026, Example 44 | US9956214,...)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC2CC2)c(N)c1C(N)=O
Show InChI InChI=1S/C19H21N5O2/c1-2-26-14-6-5-12-7-13(9-22-15(12)8-14)17-16(19(21)25)18(20)24(23-17)10-11-3-4-11/h5-9,11H,2-4,10,20H2,1H3,(H2,21,25)
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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50148647
PNG
(CHEMBL3769570 | US9518026, Example 53 | US9956214,...)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)CCO)c(N)c1C(N)=O
Show InChI InChI=1S/C19H23N5O3/c1-3-27-14-5-4-12-8-13(10-22-15(12)9-14)17-16(19(21)26)18(20)24(23-17)11(2)6-7-25/h4-5,8-11,25H,3,6-7,20H2,1-2H3,(H2,21,26)
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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)		BDBM50148731
PNG
(CHEMBL3771242 | US9518026, Example 68 | US9956214,...)
Show SMILES CCCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C20H25N5O2/c1-5-8-27-14-7-6-12-9-13(11-23-15(12)10-14)17-16(19(22)26)18(21)25(24-17)20(2,3)4/h6-7,9-11H,5,8,21H2,1-4H3,(H2,22,26)
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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
Calcium-dependent protein kinase 1


(Cryptosporidium parvum)		BDBM50148634
PNG
(CHEMBL3769900 | US9518026, Example 43 | US9956214,...)
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)
UniProtKB/TrEMBL

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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
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* indicates data uncertainty>20%