Compile Data Set for Download or QSAR

Found 152 hits Enz. Inhib. hit(s) with Target = 'CAM kinase, CDPK family TgCDPK1'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416615 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416611 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416551 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416560 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416572 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416558 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair				3D Structure (crystal)
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416552 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416565 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416553 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416613 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416577 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416538 (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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416619 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416537 (US10307425, Example 3 | US10632122, Example 3) Show SMILES CN1CCC(CC2(N)N=CN=C3NNC(=C23)c2ccc3nc(OC4CC4)ccc3c2)CC1 |c:8,t:10,14| 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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416570 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416569 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416556 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416554 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM50389717 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416627 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416576 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416637 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416559 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair				3D Structure (crystal)
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416541 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM50389718 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416550 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416573 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416555 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416633 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416535 (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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416563 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416630 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM50389719 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416607 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416574 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416598 ((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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416582 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416626 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416634 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM50389720 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416648 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416588 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416557 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM50250014 (CHEMBL2324597 | US11208411, Compound 3CIB-PP1) Show SMILES CC(C)(C)n1nc(Cc2cccc(Cl)c2)c2c(N)ncnc12 Show InChI InChI=1S/C16H18ClN5/c1-16(2,3)22-15-13(14(18)19-9-20-15)12(21-22)8-10-5-4-6-11(17)7-10/h4-7,9H,8H2,1-3H3,(H2,18,19,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	3.38	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Full length CDPK1 was PCR amplified from a T. gondii RH cDNA library generated using the SMART cDNA synthesis kit (Clontech). The primers contained r...				Citation and Details BindingDB Entry DOI: 10.7270/Q21G0QGQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM50389684 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416616 (4-((4-amino-3-(6-cyclopropoxynaphthalen-2-yl)-1H-p...) Show SMILES CN1CCC(Cn2nc(-c3ccc4cc(OC5CC5)ccc4c3)c3c(N)ncnc23)(CC1)C#N Show InChI InChI=1S/C26H27N7O/c1-32-10-8-26(14-27,9-11-32)15-33-25-22(24(28)29-16-30-25)23(31-33)19-3-2-18-13-21(34-20-6-7-20)5-4-17(18)12-19/h2-5,12-13,16,20H,6-11,15H2,1H3,(H2,28,29,30)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416597 ((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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416571 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416624 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM416544 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/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 US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9
					More data for this Ligand-Target Pair

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