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Patent code US10632122

Compile Data Set for Download or QSAR
Found 116 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
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416611
PNG
(4-((4-amino-3-(6-cyclopropoxynaphthalen-2-yl)-1H-p...)
Show SMILES Nc1ncnc2n(CC3(O)CCNCC3)nc(-c3ccc4cc(OC5CC5)ccc4c3)c12
Show InChI InChI=1S/C24H26N6O2/c25-22-20-21(17-2-1-16-12-19(32-18-5-6-18)4-3-15(16)11-17)29-30(23(20)28-14-27-22)13-24(31)7-9-26-10-8-24/h1-4,11-12,14,18,26,31H,5-10,13H2,(H2,25,27,28)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.700n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416615
PNG
(4-((4-amino-3-(2-cyclopropoxyquinolin-6-yl)-1H-pyr...)
Show SMILES Nc1ncnc2n(CC3(O)CCNCC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12
Show InChI InChI=1S/C23H25N7O2/c24-21-19-20(15-1-5-17-14(11-15)2-6-18(28-17)32-16-3-4-16)29-30(22(19)27-13-26-21)12-23(31)7-9-25-10-8-23/h1-2,5-6,11,13,16,25,31H,3-4,7-10,12H2,(H2,24,26,27)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.700n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416551
PNG
(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)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.800n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416560
PNG
(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)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.900n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416572
PNG
(3-(2-cyclopropoxyquinolin-6-yl)-1-(piperidin-4-ylm...)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12
Show InChI InChI=1S/C23H25N7O/c24-22-20-21(29-30(23(20)27-13-26-22)12-14-7-9-25-10-8-14)16-1-5-18-15(11-16)2-6-19(28-18)31-17-3-4-17/h1-2,5-6,11,13-14,17,25H,3-4,7-10,12H2,(H2,24,26,27)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416558
PNG
(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)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
US Patent
n/an/a 1n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


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


(Toxoplasma gondii)
BDBM416565
PNG
(3-(4-amino-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC(C)(C)CO)c2ncnc(N)c12
Show InChI InChI=1S/C22H25N5O2/c1-4-29-17-8-7-14-9-16(6-5-15(14)10-17)19-18-20(23)24-13-25-21(18)27(26-19)11-22(2,3)12-28/h5-10,13,28H,4,11-12H2,1-3H3,(H2,23,24,25)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.20n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416552
PNG
(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)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.20n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416553
PNG
(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)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.30n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416613
PNG
(4-((4-amino-3-(2-ethoxyquinolin-6-yl)-1H-pyrazolo[...)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2(O)CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H27N7O2/c1-3-32-18-7-5-15-12-16(4-6-17(15)27-18)20-19-21(24)25-14-26-22(19)30(28-20)13-23(31)8-10-29(2)11-9-23/h4-7,12,14,31H,3,8-11,13H2,1-2H3,(H2,24,25,26)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.30n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416577
PNG
(1-(piperidin-4-ylmethyl)-3-(2-(2,2,2-trifluoroetho...)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4nc(OCC(F)(F)F)ccc4c3)c12
Show InChI InChI=1S/C22H22F3N7O/c23-22(24,25)11-33-17-4-2-14-9-15(1-3-16(14)30-17)19-18-20(26)28-12-29-21(18)32(31-19)10-13-5-7-27-8-6-13/h1-4,9,12-13,27H,5-8,10-11H2,(H2,26,28,29)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.40n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416619
PNG
(4-((4-amino-3-(2-ethoxyquinolin-6-yl)-1H-pyrazolo[...)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2(CCNCC2)C#N)c2ncnc(N)c12
Show InChI InChI=1S/C23H24N8O/c1-2-32-18-6-4-15-11-16(3-5-17(15)29-18)20-19-21(25)27-14-28-22(19)31(30-20)13-23(12-24)7-9-26-10-8-23/h3-6,11,14,26H,2,7-10,13H2,1H3,(H2,25,27,28)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.5n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416538
PNG
(US10307425, Example 4 | US10632122, Example 4)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc2cc(OC3CC3)ccc2c1
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
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.5n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416537
PNG
(US10307425, Example 3 | US10632122, Example 3)
Show SMILES Brc1ccc2nc(OC3CC3)ccc2c1
Show InChI InChI=1S/C12H10BrNO/c13-9-2-5-11-8(7-9)1-6-12(14-11)15-10-3-4-10/h1-2,5-7,10H,3-4H2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.60n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416570
PNG
(3-(4-amino-3-(2-ethoxyquinolin-6-yl)-1H-pyrazolo[3...)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC(C)(C)CO)c2ncnc(N)c12
Show InChI InChI=1S/C21H24N6O2/c1-4-29-16-8-6-13-9-14(5-7-15(13)25-16)18-17-19(22)23-12-24-20(17)27(26-18)10-21(2,3)11-28/h5-9,12,28H,4,10-11H2,1-3H3,(H2,22,23,24)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.70n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416569
PNG
(1-isobutyl-3-(6-(2-methoxyethoxy)naphthalen-2-yl)-...)
Show SMILES COCCOc1ccc2cc(ccc2c1)-c1nn(CC(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C22H25N5O2/c1-14(2)12-27-22-19(21(23)24-13-25-22)20(26-27)17-5-4-16-11-18(29-9-8-28-3)7-6-15(16)10-17/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H2,23,24,25)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.70n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416554
PNG
(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)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.80n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416556
PNG
(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)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.80n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416627
PNG
(3-(6-(difluoromethoxy)naphthalen-2-yl)-1-(piperidi...)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OC(F)F)ccc4c3)c12
Show InChI InChI=1S/C22H22F2N6O/c23-22(24)31-17-4-3-14-9-16(2-1-15(14)10-17)19-18-20(25)27-12-28-21(18)30(29-19)11-13-5-7-26-8-6-13/h1-4,9-10,12-13,22,26H,5-8,11H2,(H2,25,27,28)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.90n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50389717
PNG
(CHEMBL2070085 | US10307425, Example 107 | US106321...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CCC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H28N6O/c1-2-31-20-6-5-17-13-19(4-3-18(17)14-20)22-21-23(25)27-15-28-24(21)30(29-22)12-9-16-7-10-26-11-8-16/h3-6,13-16,26H,2,7-12H2,1H3,(H2,25,27,28)
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 1.90n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416559
PNG
(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)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
US Patent
n/an/a 2n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


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


(Toxoplasma gondii)
BDBM416637
PNG
(3-(2-ethoxyquinolin-6-yl)-1-isopropyl-1H-pyrazolo[...)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C19H20N6O/c1-4-26-15-8-6-12-9-13(5-7-14(12)23-15)17-16-18(20)21-10-22-19(16)25(24-17)11(2)3/h5-11H,4H2,1-3H3,(H2,20,21,22)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416576
PNG
(1-isobutyl-3-(2-(2,2,2-trifluoroethoxy)quinolin-6-...)
Show SMILES CC(C)Cn1nc(-c2ccc3nc(OCC(F)(F)F)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C20H19F3N6O/c1-11(2)8-29-19-16(18(24)25-10-26-19)17(28-29)13-3-5-14-12(7-13)4-6-15(27-14)30-9-20(21,22)23/h3-7,10-11H,8-9H2,1-2H3,(H2,24,25,26)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416541
PNG
(US10307425, Example 7 | US10632122, Example 7)
Show SMILES CC1(Cn2nc(I)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)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50389718
PNG
(CHEMBL2070086 | US10307425, Example 108 | US106321...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CCC2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C25H30N6O/c1-3-32-21-7-6-18-14-20(5-4-19(18)15-21)23-22-24(26)27-16-28-25(22)31(29-23)13-10-17-8-11-30(2)12-9-17/h4-7,14-17H,3,8-13H2,1-2H3,(H2,26,27,28)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416550
PNG
(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)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416573
PNG
(1-(azetidin-3-ylmethyl)-3-(2-cyclopropoxyquinolin-...)
Show SMILES Nc1ncnc2n(CC3CNC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12
Show InChI InChI=1S/C21H21N7O/c22-20-18-19(27-28(10-12-8-23-9-12)21(18)25-11-24-20)14-1-5-16-13(7-14)2-6-17(26-16)29-15-3-4-15/h1-2,5-7,11-12,15,23H,3-4,8-10H2,(H2,22,24,25)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416555
PNG
(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)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416535
PNG
(US10307425, Example 1 | US10632122, Example 1)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc2cc(OC3CCC3)ccc2c1
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
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416633
PNG
(4-((4-amino-3-(6-(difluoromethoxy)naphthalen-2-yl)...)
Show SMILES Nc1ncnc2n(CC3(CCNCC3)C#N)nc(-c3ccc4cc(OC(F)F)ccc4c3)c12
Show InChI InChI=1S/C23H21F2N7O/c24-22(25)33-17-4-3-14-9-16(2-1-15(14)10-17)19-18-20(27)29-13-30-21(18)32(31-19)12-23(11-26)5-7-28-8-6-23/h1-4,9-10,13,22,28H,5-8,12H2,(H2,27,29,30)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416630
PNG
(3-((4-amino-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazol...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2(O)CN(C)C2)c2ncnc(N)c12
Show InChI InChI=1S/C22H24N6O2/c1-3-30-17-7-6-14-8-16(5-4-15(14)9-17)19-18-20(23)24-13-25-21(18)28(26-19)12-22(29)10-27(2)11-22/h4-9,13,29H,3,10-12H2,1-2H3,(H2,23,24,25)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416563
PNG
(3-(6-cyclobutoxynaphthalen-2-yl)-1-((tetrahydro-2H...)
Show SMILES Nc1ncnc2n(CC3CCOCC3)nc(-c3ccc4cc(OC5CCC5)ccc4c3)c12
Show InChI InChI=1S/C25H27N5O2/c26-24-22-23(29-30(25(22)28-15-27-24)14-16-8-10-31-11-9-16)19-5-4-18-13-21(7-6-17(18)12-19)32-20-2-1-3-20/h4-7,12-13,15-16,20H,1-3,8-11,14H2,(H2,26,27,28)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50389719
PNG
(CHEMBL2070087 | US10307425, Example 109 | US106321...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CCC2CCN(CC)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C26H32N6O/c1-3-31-12-9-18(10-13-31)11-14-32-26-23(25(27)28-17-29-26)24(30-32)21-6-5-20-16-22(33-4-2)8-7-19(20)15-21/h5-8,15-18H,3-4,9-14H2,1-2H3,(H2,27,28,29)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416607
PNG
(4-((4-amino-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazol...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2(CCNCC2)C#N)c2ncnc(N)c12
Show InChI InChI=1S/C24H25N7O/c1-2-32-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(26)28-15-29-23(20)31(30-21)14-24(13-25)7-9-27-10-8-24/h3-6,11-12,15,27H,2,7-10,14H2,1H3,(H2,26,28,29)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416574
PNG
(3-(2-cyclopropoxyquinolin-6-yl)-1-((1-methylazetid...)
Show SMILES CN1CC(Cn2nc(-c3ccc4nc(OC5CC5)ccc4c3)c3c(N)ncnc23)C1
Show InChI InChI=1S/C22H23N7O/c1-28-9-13(10-28)11-29-22-19(21(23)24-12-25-22)20(27-29)15-2-6-17-14(8-15)3-7-18(26-17)30-16-4-5-16/h2-3,6-8,12-13,16H,4-5,9-11H2,1H3,(H2,23,24,25)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416626
PNG
(3-((4-amino-3-(2-ethoxyquinolin-6-yl)-1H-pyrazolo[...)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2(O)CNC2)c2ncnc(N)c12
Show InChI InChI=1S/C20H21N7O2/c1-2-29-15-6-4-12-7-13(3-5-14(12)25-15)17-16-18(21)23-11-24-19(16)27(26-17)10-20(28)8-22-9-20/h3-7,11,22,28H,2,8-10H2,1H3,(H2,21,23,24)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416582
PNG
(3-(6-ethoxynaphthalen-2-yl)-1-((3-methyloxetan-3-y...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2(C)COC2)c2ncnc(N)c12
Show InChI InChI=1S/C22H23N5O2/c1-3-29-17-7-6-14-8-16(5-4-15(14)9-17)19-18-20(23)24-13-25-21(18)27(26-19)10-22(2)11-28-12-22/h4-9,13H,3,10-12H2,1-2H3,(H2,23,24,25)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416598
PNG
((3-((4-amino-3-(6-cyclopropoxynaphthalen-2-yl)-1H-...)
Show SMILES Nc1ncnc2n(CC3(CO)COC3)nc(-c3ccc4cc(OC5CC5)ccc4c3)c12
Show InChI InChI=1S/C23H23N5O3/c24-21-19-20(27-28(22(19)26-13-25-21)9-23(10-29)11-30-12-23)16-2-1-15-8-18(31-17-5-6-17)4-3-14(15)7-16/h1-4,7-8,13,17,29H,5-6,9-12H2,(H2,24,25,26)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416648
PNG
(1-((6-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrim...)
Show SMILES CC(C)n1nc(-c2ccc3cc(OCC(C)(C)O)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C22H25N5O2/c1-13(2)27-21-18(20(23)24-12-25-21)19(26-27)16-6-5-15-10-17(8-7-14(15)9-16)29-11-22(3,4)28/h5-10,12-13,28H,11H2,1-4H3,(H2,23,24,25)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416634
PNG
(3-((4-amino-3-(2-cyclopropoxyquinolin-6-yl)-1H-pyr...)
Show SMILES Nc1ncnc2n(CC3(O)CNC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12
Show InChI InChI=1S/C21H21N7O2/c22-19-17-18(27-28(20(17)25-11-24-19)10-21(29)8-23-9-21)13-1-5-15-12(7-13)2-6-16(26-15)30-14-3-4-14/h1-2,5-7,11,14,23,29H,3-4,8-10H2,(H2,22,24,25)
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Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50389720
PNG
(CHEMBL2070088 | US10307425, Example 110 | US106321...)
Show SMILES CCCN1CCC(CCn2nc(-c3ccc4cc(OCC)ccc4c3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C27H34N6O/c1-3-12-32-13-9-19(10-14-32)11-15-33-27-24(26(28)29-18-30-27)25(31-33)22-6-5-21-17-23(34-4-2)8-7-20(21)16-22/h5-8,16-19H,3-4,9-15H2,1-2H3,(H2,28,29,30)
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Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416588
PNG
(1-(4-amino-5-(2-cyclopropoxyquinolin-6-yl)-7H-pyrr...)
Show SMILES CC(C)(O)Cn1cc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C22H23N5O2/c1-22(2,28)11-27-10-16(19-20(23)24-12-25-21(19)27)13-3-7-17-14(9-13)4-8-18(26-17)29-15-5-6-15/h3-4,7-10,12,15,28H,5-6,11H2,1-2H3,(H2,23,24,25)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416557
PNG
(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)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50389684
PNG
(CHEMBL2070051 | US10307425, Example 119 | US106321...)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C22H25N7O/c1-2-30-18-6-4-15-11-16(3-5-17(15)27-18)20-19-21(23)25-13-26-22(19)29(28-20)12-14-7-9-24-10-8-14/h3-6,11,13-14,24H,2,7-10,12H2,1H3,(H2,23,25,26)
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Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM439387
PNG
(US10632122, Example 83)
Show SMILES CN1CCC(Cn2nc(-c3ccc4cc(OC5CC5)ccc4c3)c3cncnc23)(CC1)C#N
Show InChI InChI=1S/C26H26N6O/c1-31-10-8-26(15-27,9-11-31)16-32-25-23(14-28-17-29-25)24(30-32)20-3-2-19-13-22(33-21-6-7-21)5-4-18(19)12-20/h2-5,12-14,17,21H,6-11,16H2,1H3
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Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416597
PNG
((3-((4-amino-3-(2-cyclopropoxyquinolin-6-yl)-1H-py...)
Show SMILES Nc1ncnc2n(CC3(CO)COC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12
Show InChI InChI=1S/C22H22N6O3/c23-20-18-19(27-28(21(18)25-12-24-20)8-22(9-29)10-30-11-22)14-1-5-16-13(7-14)2-6-17(26-16)31-15-3-4-15/h1-2,5-7,12,15,29H,3-4,8-11H2,(H2,23,24,25)
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Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416624
PNG
(3-((4-amino-3-(6-cyclopropoxynaphthalen-2-yl)-1H-p...)
Show SMILES CN1CC(O)(Cn2nc(-c3ccc4cc(OC5CC5)ccc4c3)c3c(N)ncnc23)C1
Show InChI InChI=1S/C23H24N6O2/c1-28-10-23(30,11-28)12-29-22-19(21(24)25-13-26-22)20(27-29)16-3-2-15-9-18(31-17-6-7-17)5-4-14(15)8-16/h2-5,8-9,13,17,30H,6-7,10-12H2,1H3,(H2,24,25,26)
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Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416571
PNG
(3-(2-(2-methoxyethoxy)quinolin-6-yl)-1-neopentyl-1...)
Show SMILES COCCOc1ccc2cc(ccc2n1)-c1nn(CC(C)(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C22H26N6O2/c1-22(2,3)12-28-21-18(20(23)24-13-25-21)19(27-28)15-5-7-16-14(11-15)6-8-17(26-16)30-10-9-29-4/h5-8,11,13H,9-10,12H2,1-4H3,(H2,23,24,25)
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Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416617
PNG
(4-((4-amino-3-(2-ethoxyquinolin-6-yl)-1H-pyrazolo[...)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2(O)CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C22H25N7O2/c1-2-31-17-6-4-14-11-15(3-5-16(14)27-17)19-18-20(23)25-13-26-21(18)29(28-19)12-22(30)7-9-24-10-8-22/h3-6,11,13,24,30H,2,7-10,12H2,1H3,(H2,23,25,26)
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Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416568
PNG
(1-isobutyl-3-(6-(oxetan-3-yloxy)naphthalen-2-yl)-1...)
Show SMILES CC(C)Cn1nc(-c2ccc3cc(OC4COC4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C22H23N5O2/c1-13(2)9-27-22-19(21(23)24-12-25-22)20(26-27)16-4-3-15-8-17(6-5-14(15)7-16)29-18-10-28-11-18/h3-8,12-13,18H,9-11H2,1-2H3,(H2,23,24,25)
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Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416544
PNG
(US10307425, Example 10 | US10632122, Example 10)
Show SMILES CC(C)(C)OC(=O)N1CCC(Cn2nc(-c3ccc4cc(O)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)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50389750
PNG
(CHEMBL2070089 | US10307425, Example 111 | US106321...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CCC2CCN(CCCN)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C27H35N7O/c1-2-35-23-7-6-20-16-22(5-4-21(20)17-23)25-24-26(29)30-18-31-27(24)34(32-25)15-10-19-8-13-33(14-9-19)12-3-11-28/h4-7,16-19H,2-3,8-15,28H2,1H3,(H2,29,30,31)
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Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50389710
PNG
(CHEMBL2070077 | US10307425, Example 112 | US106321...)
Show SMILES CCCN1CCC(CC1)n1nc(-c2ccc3cc(OCC)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C25H30N6O/c1-3-11-30-12-9-20(10-13-30)31-25-22(24(26)27-16-28-25)23(29-31)19-6-5-18-15-21(32-4-2)8-7-17(18)14-19/h5-8,14-16,20H,3-4,9-13H2,1-2H3,(H2,26,27,28)
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Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM50389711
PNG
(CHEMBL2070078 | US10307425, Example 113 | US106321...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C2CCN(CCCN)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C25H31N7O/c1-2-33-21-7-6-17-14-19(5-4-18(17)15-21)23-22-24(27)28-16-29-25(22)32(30-23)20-8-12-31(13-9-20)11-3-10-26/h4-7,14-16,20H,2-3,8-13,26H2,1H3,(H2,27,28,29)
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Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416539
PNG
(US10307425, Example 5 | US10632122, Example 5)
Show SMILES CN(C)CC(C)(C)Cn1nc(I)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)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416612
PNG
(4-((4-amino-3-(6-cyclopropoxynaphthalen-2-yl)-1H-p...)
Show SMILES CN1CCC(O)(Cn2nc(-c3ccc4cc(OC5CC5)ccc4c3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C25H28N6O2/c1-30-10-8-25(32,9-11-30)14-31-24-21(23(26)27-15-28-24)22(29-31)18-3-2-17-13-20(33-19-6-7-19)5-4-16(17)12-18/h2-5,12-13,15,19,32H,6-11,14H2,1H3,(H2,26,27,28)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416562
PNG
(3-(6-(cyclopropylmethoxy)naphthalen-2-yl)-1-((tetr...)
Show SMILES Nc1ncnc2n(CC3CCOCC3)nc(-c3ccc4cc(OCC5CC5)ccc4c3)c12
Show InChI InChI=1S/C25H27N5O2/c26-24-22-23(29-30(25(22)28-15-27-24)13-16-7-9-31-10-8-16)20-4-3-19-12-21(6-5-18(19)11-20)32-14-17-1-2-17/h3-6,11-12,15-17H,1-2,7-10,13-14H2,(H2,26,27,28)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416636
PNG
(3-((4-amino-3-(2-cyclopropoxyquinolin-6-yl)-1H-pyr...)
Show SMILES CN1CC(O)(Cn2nc(-c3ccc4nc(OC5CC5)ccc4c3)c3c(N)ncnc23)C1
Show InChI InChI=1S/C22H23N7O2/c1-28-9-22(30,10-28)11-29-21-18(20(23)24-12-25-21)19(27-29)14-2-6-16-13(8-14)3-7-17(26-16)31-15-4-5-15/h2-3,6-8,12,15,30H,4-5,9-11H2,1H3,(H2,23,24,25)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416623
PNG
(3-((4-amino-3-(6-cyclopropoxynaphthalen-2-yl)-1H-p...)
Show SMILES Nc1ncnc2n(CC3(O)CNC3)nc(-c3ccc4cc(OC5CC5)ccc4c3)c12
Show InChI InChI=1S/C22H22N6O2/c23-20-18-19(27-28(21(18)26-12-25-20)11-22(29)9-24-10-22)15-2-1-14-8-17(30-16-5-6-16)4-3-13(14)7-15/h1-4,7-8,12,16,24,29H,5-6,9-11H2,(H2,23,25,26)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416625
PNG
(4-((4-amino-3-(2-cyclopropoxyquinolin-6-yl)-1H-pyr...)
Show SMILES CN1CCC(Cn2nc(-c3ccc4nc(OC5CC5)ccc4c3)c3c(N)ncnc23)(CC1)C#N
Show InChI InChI=1S/C25H26N8O/c1-32-10-8-25(13-26,9-11-32)14-33-24-21(23(27)28-15-29-24)22(31-33)17-2-6-19-16(12-17)3-7-20(30-19)34-18-4-5-18/h2-3,6-7,12,15,18H,4-5,8-11,14H2,1H3,(H2,27,28,29)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416540
PNG
(US10307425, Example 6 | US10632122, Example 6)
Show SMILES CC(C)(O)Cn1nc(I)c2c(N)ncnc12
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)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416566
PNG
(1-(6-(4-amino-1-isobutyl-1H-pyrazolo[3,4-d]pyrimid...)
Show SMILES CC(C)Cn1nc(-c2ccc3cc(OCC(C)(C)O)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C23H27N5O2/c1-14(2)11-28-22-19(21(24)25-13-26-22)20(27-28)17-6-5-16-10-18(8-7-15(16)9-17)30-12-23(3,4)29/h5-10,13-14,29H,11-12H2,1-4H3,(H2,24,25,26)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416567
PNG
(2-(6-(4-amino-1-isobutyl-1H-pyrazolo[3,4-d]pyrimid...)
Show SMILES CC(C)Cn1nc(-c2ccc3cc(OCCO)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C21H23N5O2/c1-13(2)11-26-21-18(20(22)23-12-24-21)19(25-26)16-4-3-15-10-17(28-8-7-27)6-5-14(15)9-16/h3-6,9-10,12-13,27H,7-8,11H2,1-2H3,(H2,22,23,24)
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Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416543
PNG
(US10307425, Example 9 | US10632122, Example 9)
Show SMILES CC(C)Cn1nc(-c2ccc3cc(O)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C19H19N5O/c1-11(2)9-24-19-16(18(20)21-10-22-19)17(23-24)14-4-3-13-8-15(25)6-5-12(13)7-14/h3-8,10-11,25H,9H2,1-2H3,(H2,20,21,22)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416590
PNG
(1-((4-amino-3-(2-cyclopropoxyquinolin-6-yl)-1H-pyr...)
Show SMILES Nc1ncnc2n(CC3(O)CCC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12
Show InChI InChI=1S/C22H22N6O2/c23-20-18-19(27-28(21(18)25-12-24-20)11-22(29)8-1-9-22)14-2-6-16-13(10-14)3-7-17(26-16)30-15-4-5-15/h2-3,6-7,10,12,15,29H,1,4-5,8-9,11H2,(H2,23,24,25)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416549
PNG
(US10307425, Example 15 | US10632122, Example 15)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCN(CC2)C(=O)OC(C)(C)C)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)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416647
PNG
(1-isopropyl-3-(6-(oxetan-3-yloxy)naphthalen-2-yl)-...)
Show SMILES CC(C)n1nc(-c2ccc3cc(OC4COC4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C21H21N5O2/c1-12(2)26-21-18(20(22)23-11-24-21)19(25-26)15-4-3-14-8-16(6-5-13(14)7-15)28-17-9-27-10-17/h3-8,11-12,17H,9-10H2,1-2H3,(H2,22,23,24)
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n/an/a 6.10n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416649
PNG
(2-((6-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrim...)
Show SMILES CC(C)n1nc(-c2ccc3cc(OCCO)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C20H21N5O2/c1-12(2)25-20-17(19(21)22-11-23-20)18(24-25)15-4-3-14-10-16(27-8-7-26)6-5-13(14)9-15/h3-6,9-12,26H,7-8H2,1-2H3,(H2,21,22,23)
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n/an/a 6.20n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416610
PNG
(3-(6-cyclopropoxynaphthalen-2-yl)-1-(2-fluoro-2-me...)
Show SMILES CC(C)(F)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C22H22FN5O/c1-22(2,23)11-28-21-18(20(24)25-12-26-21)19(27-28)15-4-3-14-10-17(29-16-7-8-16)6-5-13(14)9-15/h3-6,9-10,12,16H,7-8,11H2,1-2H3,(H2,24,25,26)
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n/an/a 6.40n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416628
PNG
(3-(6-(difluoromethoxy)naphthalen-2-yl)-1-((1-methy...)
Show SMILES CN1CCC(Cn2nc(-c3ccc4cc(OC(F)F)ccc4c3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C23H24F2N6O/c1-30-8-6-14(7-9-30)12-31-22-19(21(26)27-13-28-22)20(29-31)17-3-2-16-11-18(32-23(24)25)5-4-15(16)10-17/h2-5,10-11,13-14,23H,6-9,12H2,1H3,(H2,26,27,28)
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n/an/a 6.5n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416631
PNG
(4-((4-amino-3-(6-(difluoromethoxy)naphthalen-2-yl)...)
Show SMILES Nc1ncnc2n(CC3(O)CCNCC3)nc(-c3ccc4cc(OC(F)F)ccc4c3)c12
Show InChI InChI=1S/C22H22F2N6O2/c23-21(24)32-16-4-3-13-9-15(2-1-14(13)10-16)18-17-19(25)27-12-28-20(17)30(29-18)11-22(31)5-7-26-8-6-22/h1-4,9-10,12,21,26,31H,5-8,11H2,(H2,25,27,28)
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n/an/a 7.5n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416629
PNG
(3-((4-amino-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazol...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2(O)CNC2)c2ncnc(N)c12
Show InChI InChI=1S/C21H22N6O2/c1-2-29-16-6-5-13-7-15(4-3-14(13)8-16)18-17-19(22)24-12-25-20(17)27(26-18)11-21(28)9-23-10-21/h3-8,12,23,28H,2,9-11H2,1H3,(H2,22,24,25)
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n/an/a 7.80n/an/an/an/an/an/a



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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416575
PNG
(3-(2-(2-methoxyethoxy)quinolin-6-yl)-1-((1-methylp...)
Show SMILES COCCOc1ccc2cc(ccc2n1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H29N7O2/c1-30-9-7-16(8-10-30)14-31-24-21(23(25)26-15-27-24)22(29-31)18-3-5-19-17(13-18)4-6-20(28-19)33-12-11-32-2/h3-6,13,15-16H,7-12,14H2,1-2H3,(H2,25,26,27)
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n/an/a 8n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416592
PNG
(1-((4-amino-3-(6-cyclopropoxynaphthalen-2-yl)-1H-p...)
Show SMILES Nc1ncnc2n(CC3(O)CCC3)nc(-c3ccc4cc(OC5CC5)ccc4c3)c12
Show InChI InChI=1S/C23H23N5O2/c24-21-19-20(27-28(22(19)26-13-25-21)12-23(29)8-1-9-23)16-3-2-15-11-18(30-17-6-7-17)5-4-14(15)10-16/h2-5,10-11,13,17,29H,1,6-9,12H2,(H2,24,25,26)
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n/an/a 8.60n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416591
PNG
(1-(4-amino-5-(6-cyclopropoxynaphthalen-2-yl)-7H-py...)
Show SMILES CC(C)(O)Cn1cc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C23H24N4O2/c1-23(2,28)12-27-11-19(20-21(24)25-13-26-22(20)27)16-4-3-15-10-18(29-17-7-8-17)6-5-14(15)9-16/h3-6,9-11,13,17,28H,7-8,12H2,1-2H3,(H2,24,25,26)
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n/an/a 9.10n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416601
PNG
(US10307425, Example 68 | US10632122, Example 68 | ...)
Show SMILES COC(=O)C(C)(C)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C24H25N5O3/c1-24(2,23(30)31-3)12-29-22-19(21(25)26-13-27-22)20(28-29)16-5-4-15-11-18(32-17-8-9-17)7-6-14(15)10-16/h4-7,10-11,13,17H,8-9,12H2,1-3H3,(H2,25,26,27)
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n/an/a 9.70n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416645
PNG
(1-(6-ethoxynaphthalen-2-yl)-3-(piperidin-4-ylmethy...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nc(CC2CCNCC2)n2ccnc(N)c12
Show InChI InChI=1S/C24H27N5O/c1-2-30-20-6-5-17-14-19(4-3-18(17)15-20)22-23-24(25)27-11-12-29(23)21(28-22)13-16-7-9-26-10-8-16/h3-6,11-12,14-16,26H,2,7-10,13H2,1H3,(H2,25,27)
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n/an/a 10n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416546
PNG
(US10307425, Example 12 | US10632122, Example 12)
Show SMILES CN1CCC(CN2NC(=C3N(N)C=NC=C23)c2ccc3cc(OC4COC4)ccc3c2)CC1
Show InChI InChI=1S/C25H30N6O2/c1-29-8-6-17(7-9-29)13-31-23-12-27-16-30(26)25(23)24(28-31)20-3-2-19-11-21(5-4-18(19)10-20)33-22-14-32-15-22/h2-5,10-12,16-17,22,28H,6-9,13-15,26H2,1H3
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n/an/a 10.7n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416580
PNG
(3-(7-ethoxynaphthalen-2-yl)-1-isobutyl-1H-pyrazolo...)
Show SMILES CCOc1ccc2ccc(cc2c1)-c1nn(CC(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C21H23N5O/c1-4-27-17-8-7-14-5-6-15(9-16(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)
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n/an/a 10.8n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


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


(Toxoplasma gondii)
BDBM416593
PNG
(1-((4-amino-3-(2-cyclopropoxyquinolin-6-yl)-1H-pyr...)
Show SMILES Nc1ncnc2n(CC3(O)CCCC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12
Show InChI InChI=1S/C23H24N6O2/c24-21-19-20(28-29(22(19)26-13-25-21)12-23(30)9-1-2-10-23)15-3-7-17-14(11-15)4-8-18(27-17)31-16-5-6-16/h3-4,7-8,11,13,16,30H,1-2,5-6,9-10,12H2,(H2,24,25,26)
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n/an/a 12.7n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416596
PNG
(4-((4-amino-3-(6-cyclopropoxynaphthalen-2-yl)-1H-p...)
Show SMILES Nc1ncnc2n(CC3(O)CCOCC3)nc(-c3ccc4cc(OC5CC5)ccc4c3)c12
Show InChI InChI=1S/C24H25N5O3/c25-22-20-21(17-2-1-16-12-19(32-18-5-6-18)4-3-15(16)11-17)28-29(23(20)27-14-26-22)13-24(30)7-9-31-10-8-24/h1-4,11-12,14,18,30H,5-10,13H2,(H2,25,26,27)
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n/an/a 12.8n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416594
PNG
(1-((4-amino-3-(6-cyclopropoxynaphthalen-2-yl)-1H-p...)
Show SMILES Nc1ncnc2n(CC3(O)CCCC3)nc(-c3ccc4cc(OC5CC5)ccc4c3)c12
Show InChI InChI=1S/C24H25N5O2/c25-22-20-21(28-29(23(20)27-14-26-22)13-24(30)9-1-2-10-24)17-4-3-16-12-19(31-18-7-8-18)6-5-15(16)11-17/h3-6,11-12,14,18,30H,1-2,7-10,13H2,(H2,25,26,27)
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n/an/a 13n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416545
PNG
(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)
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n/an/a 15.5n/an/an/an/an/an/a



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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416584
PNG
(2-(4-amino-3-(6-cyclopropoxynaphthalen-2-yl)-1H-py...)
Show SMILES Nc1ncnc2n(CC(=O)N3CCOCC3)nc(-c3ccc4cc(OC5CC5)ccc4c3)c12
Show InChI InChI=1S/C24H24N6O3/c25-23-21-22(17-2-1-16-12-19(33-18-5-6-18)4-3-15(16)11-17)28-30(24(21)27-14-26-23)13-20(31)29-7-9-32-10-8-29/h1-4,11-12,14,18H,5-10,13H2,(H2,25,26,27)
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n/an/a 15.8n/an/an/an/an/an/a



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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416536
PNG
(US10307425, Example 2 | US10632122, Example 2)
Show SMILES FC(F)(F)COc1ccc2cc(Br)ccc2n1
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
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n/an/a 17.2n/an/an/an/an/an/a



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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416635
PNG
(4-((4-amino-3-(6-(difluoromethoxy)naphthalen-2-yl)...)
Show SMILES CN1CCC(Cn2nc(-c3ccc4cc(OC(F)F)ccc4c3)c3c(N)ncnc23)(CC1)C#N
Show InChI InChI=1S/C24H23F2N7O/c1-32-8-6-24(12-27,7-9-32)13-33-22-19(21(28)29-14-30-22)20(31-33)17-3-2-16-11-18(34-23(25)26)5-4-15(16)10-17/h2-5,10-11,14,23H,6-9,13H2,1H3,(H2,28,29,30)
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n/an/a 18.2n/an/an/an/an/an/a



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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM439378
PNG
(US10632122, Example 75)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2(CCN(C)CC2)C#N)c2ncncc12
Show InChI InChI=1S/C25H26N6O/c1-3-32-21-7-6-18-12-20(5-4-19(18)13-21)23-22-14-27-17-28-24(22)31(29-23)16-25(15-26)8-10-30(2)11-9-25/h4-7,12-14,17H,3,8-11,16H2,1-2H3
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n/an/a 18.3n/an/an/an/an/an/a



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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416579
PNG
(1-(4-amino-3-(2-(2,2,2-trifluoroethoxy)quinolin-6-...)
Show SMILES CC(C)(O)Cn1nc(-c2ccc3nc(OCC(F)(F)F)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C20H19F3N6O2/c1-19(2,30)8-29-18-15(17(24)25-10-26-18)16(28-29)12-3-5-13-11(7-12)4-6-14(27-13)31-9-20(21,22)23/h3-7,10,30H,8-9H2,1-2H3,(H2,24,25,26)
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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416646
PNG
(1-(6-ethoxynaphthalen-2-yl)-3-((1-methylpiperidin-...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nc(CC2CCN(C)CC2)n2ccnc(N)c12
Show InChI InChI=1S/C25H29N5O/c1-3-31-21-7-6-18-15-20(5-4-19(18)16-21)23-24-25(26)27-10-13-30(24)22(28-23)14-17-8-11-29(2)12-9-17/h4-7,10,13,15-17H,3,8-9,11-12,14H2,1-2H3,(H2,26,27)
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n/an/a 18.6n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416581
PNG
(3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethy...)
Show SMILES CCOc1ccc2ccc(cc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-3-4-17(11-18(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
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n/an/a 19.1n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


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


(Toxoplasma gondii)
BDBM416595
PNG
(4-((4-amino-3-(2-cyclopropoxyquinolin-6-yl)-1H-pyr...)
Show SMILES Nc1ncnc2n(CC3(O)CCOCC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12
Show InChI InChI=1S/C23H24N6O3/c24-21-19-20(15-1-5-17-14(11-15)2-6-18(27-17)32-16-3-4-16)28-29(22(19)26-13-25-21)12-23(30)7-9-31-10-8-23/h1-2,5-6,11,13,16,30H,3-4,7-10,12H2,(H2,24,25,26)
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n/an/a 19.2n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416609
PNG
(3-(4-amino-3-(6-cyclopropoxynaphthalen-2-yl)-1H-py...)
Show SMILES CC(C)(Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C23H23N5O3/c1-23(2,22(29)30)11-28-21-18(20(24)25-12-26-21)19(27-28)15-4-3-14-10-17(31-16-7-8-16)6-5-13(14)9-15/h3-6,9-10,12,16H,7-8,11H2,1-2H3,(H,29,30)(H2,24,25,26)
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n/an/a 19.4n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416618
PNG
(4-((4-amino-3-(2-cyclopropoxyquinolin-6-yl)-1H-pyr...)
Show SMILES CN1CCC(O)(Cn2nc(-c3ccc4nc(OC5CC5)ccc4c3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C24H27N7O2/c1-30-10-8-24(32,9-11-30)13-31-23-20(22(25)26-14-27-23)21(29-31)16-2-6-18-15(12-16)3-7-19(28-18)33-17-4-5-17/h2-3,6-7,12,14,17,32H,4-5,8-11,13H2,1H3,(H2,25,26,27)
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n/an/a 21n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416561
PNG
(3-(2-methoxyquinolin-6-yl)-1-((tetrahydro-2H-pyran...)
Show SMILES COc1ccc2cc(ccc2n1)-c1nn(CC2CCOCC2)c2ncnc(N)c12
Show InChI InChI=1S/C21H22N6O2/c1-28-17-5-3-14-10-15(2-4-16(14)25-17)19-18-20(22)23-12-24-21(18)27(26-19)11-13-6-8-29-9-7-13/h2-5,10,12-13H,6-9,11H2,1H3,(H2,22,23,24)
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n/an/a 21.2n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416613
PNG
(4-((4-amino-3-(2-ethoxyquinolin-6-yl)-1H-pyrazolo[...)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2(O)CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H27N7O2/c1-3-32-18-7-5-15-12-16(4-6-17(15)27-18)20-19-21(24)25-14-26-22(19)30(28-20)13-23(31)8-10-29(2)11-9-23/h4-7,12,14,31H,3,8-11,13H2,1-2H3,(H2,24,25,26)
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n/an/a 23.1n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416603
PNG
(4-((4-amino-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazol...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2(O)CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O2/c1-2-31-18-6-5-15-11-17(4-3-16(15)12-18)20-19-21(24)26-14-27-22(19)29(28-20)13-23(30)7-9-25-10-8-23/h3-6,11-12,14,25,30H,2,7-10,13H2,1H3,(H2,24,26,27)
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n/an/a 23.3n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416548
PNG
(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)
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n/an/a 24.2n/an/an/an/an/an/a



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US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416564
PNG
(3-(6-(oxetan-3-yloxy)naphthalen-2-yl)-1-((tetrahyd...)
Show SMILES Nc1ncnc2n(CC3CCOCC3)nc(-c3ccc4cc(OC5COC5)ccc4c3)c12
Show InChI InChI=1S/C24H25N5O3/c25-23-21-22(28-29(24(21)27-14-26-23)11-15-5-7-30-8-6-15)18-2-1-17-10-19(4-3-16(17)9-18)32-20-12-31-13-20/h1-4,9-10,14-15,20H,5-8,11-13H2,(H2,25,26,27)
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n/an/a 35.8n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416632
PNG
(4-((4-amino-3-(6-(difluoromethoxy)naphthalen-2-yl)...)
Show SMILES CN1CCC(O)(Cn2nc(-c3ccc4cc(OC(F)F)ccc4c3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C23H24F2N6O2/c1-30-8-6-23(32,7-9-30)12-31-21-18(20(26)27-13-28-21)19(29-31)16-3-2-15-11-17(33-22(24)25)5-4-14(15)10-16/h2-5,10-11,13,22,32H,6-9,12H2,1H3,(H2,26,27,28)
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n/an/a 35.8n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416583
PNG
(2-(4-amino-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC(=O)N2CCOCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H24N6O3/c1-2-32-18-6-5-15-11-17(4-3-16(15)12-18)21-20-22(24)25-14-26-23(20)29(27-21)13-19(30)28-7-9-31-10-8-28/h3-6,11-12,14H,2,7-10,13H2,1H3,(H2,24,25,26)
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n/an/a 42.9n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416602
PNG
(US10307425, Example 69 | US10632122, Example 69 | ...)
Show SMILES COC(=O)C(C)(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C23H24N6O3/c1-23(2,22(30)31-3)11-29-21-18(20(24)25-12-26-21)19(28-29)14-4-8-16-13(10-14)5-9-17(27-16)32-15-6-7-15/h4-5,8-10,12,15H,6-7,11H2,1-3H3,(H2,24,25,26)
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n/an/a 43.2n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416547
PNG
(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)
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n/an/a 46.3n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416586
PNG
(2-((4-amino-3-(2-cyclopropoxyquinolin-6-yl)-1H-pyr...)
Show SMILES Nc1ncnc2n(CC(O)(C(F)(F)F)C(F)(F)F)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12
Show InChI InChI=1S/C21H16F6N6O2/c22-20(23,24)19(34,21(25,26)27)8-33-18-15(17(28)29-9-30-18)16(32-33)11-1-5-13-10(7-11)2-6-14(31-13)35-12-3-4-12/h1-2,5-7,9,12,34H,3-4,8H2,(H2,28,29,30)
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n/an/a 47.3n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416605
PNG
(US10307425, Example 72 | US10632122, Example 72 | ...)
Show SMILES COC(=O)COc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C25H28N6O3/c1-30-9-7-16(8-10-30)13-31-25-22(24(26)27-15-28-25)23(29-31)19-4-3-18-12-20(6-5-17(18)11-19)34-14-21(32)33-2/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H2,26,27,28)
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n/an/a 49.6n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416604
PNG
(4-((4-amino-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazol...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2(O)CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H28N6O2/c1-3-32-19-7-6-16-12-18(5-4-17(16)13-19)21-20-22(25)26-15-27-23(20)30(28-21)14-24(31)8-10-29(2)11-9-24/h4-7,12-13,15,31H,3,8-11,14H2,1-2H3,(H2,25,26,27)
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n/an/a 59.3n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416589
PNG
(4-(4-amino-3-(2-cyclopropoxyquinolin-6-yl)-1H-pyra...)
Show SMILES CC(C)(O)C(C)(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C24H28N6O2/c1-23(2,24(3,4)31)12-30-22-19(21(25)26-13-27-22)20(29-30)15-5-9-17-14(11-15)6-10-18(28-17)32-16-7-8-16/h5-6,9-11,13,16,31H,7-8,12H2,1-4H3,(H2,25,26,27)
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n/an/a 70.8n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416606
PNG
(2-((6-(4-amino-1-((1-methylpiperidin-4-yl)methyl)-...)
Show SMILES CN1CCC(Cn2nc(-c3ccc4cc(OCC#N)ccc4c3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C24H25N7O/c1-30-9-6-16(7-10-30)14-31-24-21(23(26)27-15-28-24)22(29-31)19-3-2-18-13-20(32-11-8-25)5-4-17(18)12-19/h2-5,12-13,15-16H,6-7,9-11,14H2,1H3,(H2,26,27,28)
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n/an/a 73.8n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416585
PNG
(2-((4-amino-3-(6-(methoxymethyl)naphthalen-2-yl)-1...)
Show SMILES COCc1ccc2cc(ccc2c1)-c1nn(CC(O)(C(F)(F)F)C(F)(F)F)c2ncnc(N)c12
Show InChI InChI=1S/C21H17F6N5O2/c1-34-8-11-2-3-13-7-14(5-4-12(13)6-11)16-15-17(28)29-10-30-18(15)32(31-16)9-19(33,20(22,23)24)21(25,26)27/h2-7,10,33H,8-9H2,1H3,(H2,28,29,30)
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n/an/a 84.2n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416542
PNG
(US10307425, Example 8 | US10632122, Example 8)
Show SMILES Nc1ncnc2n(CC(O)(C(F)(F)F)C(F)(F)F)nc(I)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)
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n/an/a 94.9n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416620
PNG
(4-((4-amino-3-(2-ethoxyquinolin-6-yl)-1H-pyrazolo[...)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2(CCN(C)CC2)C#N)c2ncnc(N)c12
Show InChI InChI=1S/C24H26N8O/c1-3-33-19-7-5-16-12-17(4-6-18(16)29-19)21-20-22(26)27-15-28-23(20)32(30-21)14-24(13-25)8-10-31(2)11-9-24/h4-7,12,15H,3,8-11,14H2,1-2H3,(H2,26,27,28)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 103n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416621
PNG
(2-(6-(4-amino-1-(2-hydroxy-2-methylpropyl)-1H-pyra...)
Show SMILES CC(C)(O)Cn1nc(-c2ccc3cc(OCC#N)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C21H20N6O2/c1-21(2,28)11-27-20-17(19(23)24-12-25-20)18(26-27)15-4-3-14-10-16(29-8-7-22)6-5-13(14)9-15/h3-6,9-10,12,28H,8,11H2,1-2H3,(H2,23,24,25)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 112n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416600
PNG
(3-(2-cyclopropoxyquinolin-6-yl)-1-(2-methoxy-2-met...)
Show SMILES COC(C)(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C22H24N6O2/c1-22(2,29-3)11-28-21-18(20(23)24-12-25-21)19(27-28)14-4-8-16-13(10-14)5-9-17(26-16)30-15-6-7-15/h4-5,8-10,12,15H,6-7,11H2,1-3H3,(H2,23,24,25)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 430n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416578
PNG
(2-(3-(4-amino-3-(2-cyclopropoxyquinolin-6-yl)-1H-p...)
Show SMILES CC(C)(COCCO)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C24H28N6O3/c1-24(2,13-32-10-9-31)12-30-23-20(22(25)26-14-27-23)21(29-30)16-3-7-18-15(11-16)4-8-19(28-18)33-17-5-6-17/h3-4,7-8,11,14,17,31H,5-6,9-10,12-13H2,1-2H3,(H2,25,26,27)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.20E+3n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416622
PNG
(US10307425, Example 89 | US10632122, Example 89 | ...)
Show SMILES COC(=O)COc1ccc2cc(ccc2n1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H25N7O3/c1-32-19(31)12-33-18-5-3-15-10-16(2-4-17(15)28-18)21-20-22(24)26-13-27-23(20)30(29-21)11-14-6-8-25-9-7-14/h2-5,10,13-14,25H,6-9,11-12H2,1H3,(H2,24,26,27)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.44E+3n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416587
PNG
(1-(3-(6-cyclopropoxynaphthalen-2-yl)-1H-pyrrolo[3,...)
Show SMILES CC(C)(O)Cn1cc(-c2ccc3cc(OC4CC4)ccc3c2)c2cnccc12
Show InChI InChI=1S/C24H24N2O2/c1-24(2,27)15-26-14-22(21-13-25-10-9-23(21)26)18-4-3-17-12-20(28-19-7-8-19)6-5-16(17)11-18/h3-6,9-14,19,27H,7-8,15H2,1-2H3
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.55E+3n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)
BDBM416599
PNG
(3-(6-cyclopropoxynaphthalen-2-yl)-1-(2-methoxy-2-m...)
Show SMILES COC(C)(C)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C23H25N5O2/c1-23(2,29-3)12-28-22-19(21(24)25-13-26-22)20(27-28)16-5-4-15-11-18(30-17-8-9-17)7-6-14(15)10-16/h4-7,10-11,13,17H,8-9,12H2,1-3H3,(H2,24,25,26)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.66E+3n/an/an/an/an/an/a



University of Washington

US Patent


Assay Description
Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ...


US Patent US10632122 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%