Compile Data Set for Download or QSAR
Found 96 Enz. Inhib. hit(s) with all data for entry = 50010010
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416551(US10307425, Example 17 | US10632122, Example 17)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C21H23N5O/c1-4-27-17-8-7-14-9-16(6-5-15(14)10-17)19-18-20(22)23-12-24-21(18)26(25-19)11-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H2,22,23,24)
Affinity DataIC50: 0.800nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416560(US10307425, Example 26 | US10632122, Example 26)
Show SMILES CC(C)(CO)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C23H25N5O2/c1-23(2,12-29)11-28-22-19(21(24)25-13-26-22)20(27-28)16-4-3-15-10-18(30-17-7-8-17)6-5-14(15)9-16/h3-6,9-10,13,17,29H,7-8,11-12H2,1-2H3,(H2,24,25,26)
Affinity DataIC50: 0.900nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416558(US10307425, Example 24 | US10632122, Example 24)
Show SMILES CC(C)(O)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C22H23N5O2/c1-22(2,28)11-27-21-18(20(23)24-12-25-21)19(26-27)15-4-3-14-10-17(29-16-7-8-16)6-5-13(14)9-15/h3-6,9-10,12,16,28H,7-8,11H2,1-2H3,(H2,23,24,25)
Affinity DataIC50: 1nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50534390(CHEMBL4455656)
Show SMILES CC(C)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C22H23N5O/c1-13(2)11-27-22-19(21(23)24-12-25-22)20(26-27)16-4-3-15-10-18(28-17-7-8-17)6-5-14(15)9-16/h3-6,9-10,12-13,17H,7-8,11H2,1-2H3,(H2,23,24,25)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416552(US10307425, Example 18 | US10632122, Example 18)
Show SMILES CC(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C21H22N6O/c1-12(2)10-27-21-18(20(22)23-11-24-21)19(26-27)14-3-7-16-13(9-14)4-8-17(25-16)28-15-5-6-15/h3-4,7-9,11-12,15H,5-6,10H2,1-2H3,(H2,22,23,24)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416553(US10307425, Example 19 | US10632122, Example 19)
Show SMILES CC(C)(CO)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C22H24N6O2/c1-22(2,11-29)10-28-21-18(20(23)24-12-25-21)19(27-28)14-3-7-16-13(9-14)4-8-17(26-16)30-15-5-6-15/h3-4,7-9,12,15,29H,5-6,10-11H2,1-2H3,(H2,23,24,25)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416538(US10307425, Example 4 | US10632122, Example 4)
Show SMILES CN1CCC(Cn2nc(-c3ccc4cc(OC5CC5)ccc4c3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)15-7-5-14-12-17(21-16-9-10-16)8-6-13(14)11-15/h5-8,11-12,16H,9-10H2,1-4H3
Affinity DataIC50: 1.5nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50534383(CHEMBL4517731)
Show SMILES CN1CCC(Cn2nc(-c3ccc4nc(OC5CC5)ccc4c3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C24H27N7O/c1-30-10-8-15(9-11-30)13-31-24-21(23(25)26-14-27-24)22(29-31)17-2-6-19-16(12-17)3-7-20(28-19)32-18-4-5-18/h2-3,6-7,12,14-15,18H,4-5,8-11,13H2,1H3,(H2,25,26,27)
Affinity DataIC50: 1.60nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416554(US10307425, Example 20 | US10632122, Example 20)
Show SMILES CC1(Cn2nc(-c3ccc4nc(OC5CC5)ccc4c3)c3c(N)ncnc23)COC1
Show InChI InChI=1S/C22H22N6O2/c1-22(10-29-11-22)9-28-21-18(20(23)24-12-25-21)19(27-28)14-2-6-16-13(8-14)3-7-17(26-16)30-15-4-5-15/h2-3,6-8,12,15H,4-5,9-11H2,1H3,(H2,23,24,25)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416556(US10307425, Example 22 | US10632122, Example 22)
Show SMILES Nc1ncnc2n(CC3CCOCC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12
Show InChI InChI=1S/C23H24N6O2/c24-22-20-21(28-29(23(20)26-13-25-22)12-14-7-9-30-10-8-14)16-1-5-18-15(11-16)2-6-19(27-18)31-17-3-4-17/h1-2,5-6,11,13-14,17H,3-4,7-10,12H2,(H2,24,25,26)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416559(US10307425, Example 25 | US10632122, Example 25)
Show SMILES CC(C)(O)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C21H22N6O2/c1-21(2,28)10-27-20-17(19(22)23-11-24-20)18(26-27)13-3-7-15-12(9-13)4-8-16(25-15)29-14-5-6-14/h3-4,7-9,11,14,28H,5-6,10H2,1-2H3,(H2,22,23,24)
Affinity DataIC50: 2nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50534388(CHEMBL4573817)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCOCC2)c2ncnc(N)c12
Show InChI InChI=1S/C22H24N6O2/c1-2-30-18-6-4-15-11-16(3-5-17(15)26-18)20-19-21(23)24-13-25-22(19)28(27-20)12-14-7-9-29-10-8-14/h3-6,11,13-14H,2,7-10,12H2,1H3,(H2,23,24,25)
Affinity DataIC50: 2nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50534385(CHEMBL4537636)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCOCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H25N5O2/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)25-14-26-23(20)28(27-21)13-15-7-9-29-10-8-15/h3-6,11-12,14-15H,2,7-10,13H2,1H3,(H2,24,25,26)
Affinity DataIC50: 2nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416541(US10307425, Example 7 | US10632122, Example 7)
Show SMILES CC1(Cn2nc(-c3ccc4cc(OC5CC5)ccc4c3)c3c(N)ncnc23)COC1
Show InChI InChI=1S/C10H12IN5O/c1-10(3-17-4-10)2-16-9-6(7(11)15-16)8(12)13-5-14-9/h5H,2-4H2,1H3,(H2,12,13,14)
Affinity DataIC50: 2.10nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416550(US10307425, Example 16 | US10632122, Example 16)
Show SMILES CN1CCC(Cn2nc(-c3ccc4nc(OCC(F)(F)F)ccc4c3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C23H24F3N7O/c1-32-8-6-14(7-9-32)11-33-22-19(21(27)28-13-29-22)20(31-33)16-2-4-17-15(10-16)3-5-18(30-17)34-12-23(24,25)26/h2-5,10,13-14H,6-9,11-12H2,1H3,(H2,27,28,29)
Affinity DataIC50: 2.20nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416555(US10307425, Example 21 | US10632122, Example 21)
Show SMILES Nc1ncnc2n(CC3CCOCC3)nc(-c3ccc4cc(OC5CC5)ccc4c3)c12
Show InChI InChI=1S/C24H25N5O2/c25-23-21-22(28-29(24(21)27-14-26-23)13-15-7-9-30-10-8-15)18-2-1-17-12-20(31-19-5-6-19)4-3-16(17)11-18/h1-4,11-12,14-15,19H,5-10,13H2,(H2,25,26,27)
Affinity DataIC50: 2.40nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416535(US10307425, Example 1 | US10632122, Example 1)
Show SMILES CN1CCC(Cn2nc(-c3ccc4cc(OC5CCC5)ccc4c3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C20H25BO3/c1-19(2)20(3,4)24-21(23-19)16-10-8-15-13-18(11-9-14(15)12-16)22-17-6-5-7-17/h8-13,17H,5-7H2,1-4H3
Affinity DataIC50: 2.5nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50389704(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)
Affinity DataIC50: 2.90nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50534389(CHEMBL4587540)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CNC2)c2ncnc(N)c12
Show InChI InChI=1S/C21H22N6O/c1-2-28-17-6-5-14-7-16(4-3-15(14)8-17)19-18-20(22)24-12-25-21(18)27(26-19)11-13-9-23-10-13/h3-8,12-13,23H,2,9-11H2,1H3,(H2,22,24,25)
Affinity DataIC50: 3.20nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416557(US10307425, Example 23 | US10632122, Example 23)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC(C)(C)O)c2ncnc(N)c12
Show InChI InChI=1S/C20H22N6O2/c1-4-28-15-8-6-12-9-13(5-7-14(12)24-15)17-16-18(21)22-11-23-19(16)26(25-17)10-20(2,3)27/h5-9,11,27H,4,10H2,1-3H3,(H2,21,22,23)
Affinity DataIC50: 3.30nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50534387(CHEMBL4582694)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CN(C2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C23H24N6O2/c1-3-31-19-7-6-16-8-18(5-4-17(16)9-19)21-20-22(24)25-13-26-23(20)29(27-21)12-15-10-28(11-15)14(2)30/h4-9,13,15H,3,10-12H2,1-2H3,(H2,24,25,26)
Affinity DataIC50: 4nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416544(US10307425, Example 10 | US10632122, Example 10)
Show SMILES CN1CCC(Cn2nc(-c3ccc4cc(OCC5CC5)ccc4c3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C26H30N6O3/c1-26(2,3)35-25(34)31-10-8-16(9-11-31)14-32-24-21(23(27)28-15-29-24)22(30-32)19-5-4-18-13-20(33)7-6-17(18)12-19/h4-7,12-13,15-16,33H,8-11,14H2,1-3H3,(H2,27,28,29)
Affinity DataIC50: 4nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416539(US10307425, Example 5 | US10632122, Example 5)
Show SMILES CN(C)CC(C)(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C12H19IN6/c1-12(2,5-18(3)4)6-19-11-8(9(13)17-19)10(14)15-7-16-11/h7H,5-6H2,1-4H3,(H2,14,15,16)
Affinity DataIC50: 4.5nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416540(US10307425, Example 6 | US10632122, Example 6)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC(C)(C)O)c2ncnc(N)c12
Show InChI InChI=1S/C9H12IN5O/c1-9(2,16)3-15-8-5(6(10)14-15)7(11)12-4-13-8/h4,16H,3H2,1-2H3,(H2,11,12,13)
Affinity DataIC50: 5.60nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50534384(CHEMBL4558606)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CN(C)C2)c2ncnc(N)c12
Show InChI InChI=1S/C22H24N6O/c1-3-29-18-7-6-15-8-17(5-4-16(15)9-18)20-19-21(23)24-13-25-22(19)28(26-20)12-14-10-27(2)11-14/h4-9,13-14H,3,10-12H2,1-2H3,(H2,23,24,25)
Affinity DataIC50: 6nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416549(US10307425, Example 15 | US10632122, Example 15)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C27H33N7O3/c1-5-36-21-9-7-18-14-19(6-8-20(18)31-21)23-22-24(28)29-16-30-25(22)34(32-23)15-17-10-12-33(13-11-17)26(35)37-27(2,3)4/h6-9,14,16-17H,5,10-13,15H2,1-4H3,(H2,28,29,30)
Affinity DataIC50: 6.10nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50534391(CHEMBL4445679)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(CC2)C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C26H32N6O/c1-4-33-22-8-7-19-13-21(6-5-20(19)14-22)24-23-25(27)28-16-29-26(23)32(30-24)15-18-9-11-31(12-10-18)17(2)3/h5-8,13-14,16-18H,4,9-12,15H2,1-3H3,(H2,27,28,29)
Affinity DataIC50: 10nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50534386(CHEMBL4435505)
Show SMILES CN1CCC(Cn2nc(-c3ccc4cc(OC5COC5)ccc4c3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C25H28N6O2/c1-30-8-6-16(7-9-30)12-31-25-22(24(26)27-15-28-25)23(29-31)19-3-2-18-11-20(5-4-17(18)10-19)33-21-13-32-14-21/h2-5,10-11,15-16,21H,6-9,12-14H2,1H3,(H2,26,27,28)
Affinity DataIC50: 10nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50389715(CHEMBL2070083)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C25H28N6O2/c1-3-33-21-7-6-18-12-20(5-4-19(18)13-21)23-22-24(26)27-15-28-25(22)31(29-23)14-17-8-10-30(11-9-17)16(2)32/h4-7,12-13,15,17H,3,8-11,14H2,1-2H3,(H2,26,27,28)
Affinity DataIC50: 11nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416545(US10307425, Example 11 | US10632122, Example 11)
Show SMILES COCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C25H30N6O2/c1-30-9-7-17(8-10-30)15-31-25-22(24(26)27-16-28-25)23(29-31)20-4-3-19-14-21(33-12-11-32-2)6-5-18(19)13-20/h3-6,13-14,16-17H,7-12,15H2,1-2H3,(H2,26,27,28)
Affinity DataIC50: 15nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416536(US10307425, Example 2 | US10632122, Example 2)
Show SMILES CC(C)(CO)Cn1nc(-c2ccc3nc(OCC(F)(F)F)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C11H7BrF3NO/c12-8-2-3-9-7(5-8)1-4-10(16-9)17-6-11(13,14)15/h1-5H,6H2
Affinity DataIC50: 17nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416548(US10307425, Example 14 | US10632122, Example 14)
Show SMILES CN1CCC(Cn2nc(-c3ccc4cc(OCC(C)(C)O)ccc4c3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C26H32N6O2/c1-26(2,33)15-34-21-7-6-18-12-20(5-4-19(18)13-21)23-22-24(27)28-16-29-25(22)32(30-23)14-17-8-10-31(3)11-9-17/h4-7,12-13,16-17,33H,8-11,14-15H2,1-3H3,(H2,27,28,29)
Affinity DataIC50: 24nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416547(US10307425, Example 13 | US10632122, Example 13)
Show SMILES CN1CCC(Cn2nc(-c3ccc4cc(OCCO)ccc4c3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C24H28N6O2/c1-29-8-6-16(7-9-29)14-30-24-21(23(25)26-15-27-24)22(28-30)19-3-2-18-13-20(32-11-10-31)5-4-17(18)12-19/h2-5,12-13,15-16,31H,6-11,14H2,1H3,(H2,25,26,27)
Affinity DataIC50: 46nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416539(US10307425, Example 5 | US10632122, Example 5)
Show SMILES CN(C)CC(C)(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C12H19IN6/c1-12(2,5-18(3)4)6-19-11-8(9(13)17-19)10(14)15-7-16-11/h7H,5-6H2,1-4H3,(H2,14,15,16)
Affinity DataIC50: 82nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416542(US10307425, Example 8 | US10632122, Example 8)
Show SMILES Nc1ncnc2n(CC(O)(C(F)(F)F)C(F)(F)F)nc(-c3ccc4cc(OC5CC5)ccc4c3)c12
Show InChI InChI=1S/C9H6F6IN5O/c10-8(11,12)7(22,9(13,14)15)1-21-6-3(4(16)20-21)5(17)18-2-19-6/h2,22H,1H2,(H2,17,18,19)
Affinity DataIC50: 94nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416535(US10307425, Example 1 | US10632122, Example 1)
Show SMILES CN1CCC(Cn2nc(-c3ccc4cc(OC5CCC5)ccc4c3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C20H25BO3/c1-19(2)20(3,4)24-21(23-19)16-10-8-15-13-18(11-9-14(15)12-16)22-17-6-5-7-17/h8-13,17H,5-7H2,1-4H3
Affinity DataIC50: 200nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase D3(Homo sapiens (Human))
University of Washington

Curated by ChEMBL
LigandPNGBDBM416559(US10307425, Example 25 | US10632122, Example 25)
Show SMILES CC(C)(O)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C21H22N6O2/c1-21(2,28)10-27-20-17(19(22)23-11-24-20)18(26-27)13-3-7-15-12(9-13)4-8-16(25-15)29-14-5-6-14/h3-4,7-9,11,14,28H,5-6,10H2,1-2H3,(H2,22,23,24)
Affinity DataIC50: 280nMAssay Description:Inhibition of human PKD3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50534391(CHEMBL4445679)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(CC2)C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C26H32N6O/c1-4-33-22-8-7-19-13-21(6-5-20(19)14-22)24-23-25(27)28-16-29-26(23)32(30-24)15-18-9-11-31(12-10-18)17(2)3/h5-8,13-14,16-18H,4,9-12,15H2,1-3H3,(H2,27,28,29)
Affinity DataIC50: 300nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProto-oncogene tyrosine-protein kinase Src(Gallus gallus (Chicken))
University of Washington

Curated by ChEMBL
LigandPNGBDBM416555(US10307425, Example 21 | US10632122, Example 21)
Show SMILES Nc1ncnc2n(CC3CCOCC3)nc(-c3ccc4cc(OC5CC5)ccc4c3)c12
Show InChI InChI=1S/C24H25N5O2/c25-23-21-22(28-29(24(21)27-14-26-23)13-15-7-9-30-10-8-15)18-2-1-17-12-20(31-19-5-6-19)4-3-16(17)11-18/h1-4,11-12,14-15,19H,5-10,13H2,(H2,25,26,27)
Affinity DataIC50: 370nMAssay Description:Inhibition of chicken Src using AcEIYGEFKKK as substrate after 90 mins in presence of ATP by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416538(US10307425, Example 4 | US10632122, Example 4)
Show SMILES CN1CCC(Cn2nc(-c3ccc4cc(OC5CC5)ccc4c3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)15-7-5-14-12-17(21-16-9-10-16)8-6-13(14)11-15/h5-8,11-12,16H,9-10H2,1-4H3
Affinity DataIC50: 370nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50389704(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)
Affinity DataIC50: 400nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416550(US10307425, Example 16 | US10632122, Example 16)
Show SMILES CN1CCC(Cn2nc(-c3ccc4nc(OCC(F)(F)F)ccc4c3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C23H24F3N7O/c1-32-8-6-14(7-9-32)11-33-22-19(21(27)28-13-29-22)20(31-33)16-2-4-17-15(10-16)3-5-18(30-17)34-12-23(24,25)26/h2-5,10,13-14H,6-9,11-12H2,1H3,(H2,27,28,29)
Affinity DataIC50: 500nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416544(US10307425, Example 10 | US10632122, Example 10)
Show SMILES CN1CCC(Cn2nc(-c3ccc4cc(OCC5CC5)ccc4c3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C26H30N6O3/c1-26(2,3)35-25(34)31-10-8-16(9-11-31)14-32-24-21(23(27)28-15-29-24)22(30-32)19-5-4-18-13-20(33)7-6-17(18)12-19/h4-7,12-13,15-16,33H,8-11,14H2,1-3H3,(H2,27,28,29)
Affinity DataIC50: 900nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProto-oncogene tyrosine-protein kinase Src(Gallus gallus (Chicken))
University of Washington

Curated by ChEMBL
LigandPNGBDBM50534387(CHEMBL4582694)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CN(C2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C23H24N6O2/c1-3-31-19-7-6-16-8-18(5-4-17(16)9-19)21-20-22(24)25-13-26-23(20)29(27-21)12-15-10-28(11-15)14(2)30/h4-9,13,15H,3,10-12H2,1-2H3,(H2,24,25,26)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of chicken Src using AcEIYGEFKKK as substrate after 90 mins in presence of ATP by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50534384(CHEMBL4558606)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CN(C)C2)c2ncnc(N)c12
Show InChI InChI=1S/C22H24N6O/c1-3-29-18-7-6-15-8-17(5-4-16(15)9-18)20-19-21(23)24-13-25-22(19)28(26-20)12-14-10-27(2)11-14/h4-9,13-14H,3,10-12H2,1-2H3,(H2,23,24,25)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50534389(CHEMBL4587540)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CNC2)c2ncnc(N)c12
Show InChI InChI=1S/C21H22N6O/c1-2-28-17-6-5-14-7-16(4-3-15(14)8-17)19-18-20(22)24-12-25-21(18)27(26-19)11-13-9-23-10-13/h3-8,12-13,23H,2,9-11H2,1H3,(H2,22,24,25)
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50534383(CHEMBL4517731)
Show SMILES CN1CCC(Cn2nc(-c3ccc4nc(OC5CC5)ccc4c3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C24H27N7O/c1-30-10-8-15(9-11-30)13-31-24-21(23(25)26-14-27-24)22(29-31)17-2-6-19-16(12-17)3-7-20(28-19)32-18-4-5-18/h2-3,6-7,12,14-15,18H,4-5,8-11,13H2,1H3,(H2,25,26,27)
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
University of Washington

Curated by ChEMBL
LigandPNGBDBM416541(US10307425, Example 7 | US10632122, Example 7)
Show SMILES CC1(Cn2nc(-c3ccc4cc(OC5CC5)ccc4c3)c3c(N)ncnc23)COC1
Show InChI InChI=1S/C10H12IN5O/c1-10(3-17-4-10)2-16-9-6(7(11)15-16)8(12)13-5-14-9/h5H,2-4H2,1H3,(H2,12,13,14)
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProto-oncogene tyrosine-protein kinase Src(Gallus gallus (Chicken))
University of Washington

Curated by ChEMBL
LigandPNGBDBM416560(US10307425, Example 26 | US10632122, Example 26)
Show SMILES CC(C)(CO)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C23H25N5O2/c1-23(2,12-29)11-28-22-19(21(24)25-13-26-22)20(27-28)16-4-3-15-10-18(30-17-7-8-17)6-5-14(15)9-16/h3-6,9-10,13,17,29H,7-8,11-12H2,1-2H3,(H2,24,25,26)
Affinity DataIC50: 3.10E+3nMAssay Description:Inhibition of chicken Src using AcEIYGEFKKK as substrate after 90 mins in presence of ATP by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProto-oncogene tyrosine-protein kinase Src(Gallus gallus (Chicken))
University of Washington

Curated by ChEMBL
LigandPNGBDBM50534390(CHEMBL4455656)
Show SMILES CC(C)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C22H23N5O/c1-13(2)11-27-22-19(21(23)24-12-25-22)20(26-27)16-4-3-15-10-18(28-17-7-8-17)6-5-14(15)9-16/h3-6,9-10,12-13,17H,7-8,11H2,1-2H3,(H2,23,24,25)
Affinity DataIC50: 3.70E+3nMAssay Description:Inhibition of chicken Src using AcEIYGEFKKK as substrate after 90 mins in presence of ATP by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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