Compile Data Set for Download or QSAR

Found 252 hits with Last Name = 'vidadala' and Initial = 'r'   

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
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	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 UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	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 UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	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 UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50534390 (CHEMBL4455656) Show SMILES CC(C)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C22H23N5O/c1-13(2)11-27-22-19(21(23)24-12-25-22)20(26-27)16-4-3-15-10-18(28-17-7-8-17)6-5-14(15)9-16/h3-6,9-10,12-13,17H,7-8,11H2,1-2H3,(H2,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	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 UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	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 UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	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 UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50534383 (CHEMBL4517731) Show SMILES CN1CCC(Cn2nc(-c3ccc4nc(OC5CC5)ccc4c3)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C24H27N7O/c1-30-10-8-15(9-11-30)13-31-24-21(23(25)26-14-27-24)22(29-31)17-2-6-19-16(12-17)3-7-20(28-19)32-18-4-5-18/h2-3,6-7,12,14-15,18H,4-5,8-11,13H2,1H3,(H2,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	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 UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	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 UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50446179 (CHEMBL3109011 | US9518026, Example 39 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C19H23N5O2/c1-5-26-13-7-6-11-8-12(10-22-14(11)9-13)16-15(18(21)25)17(20)24(23-16)19(2,3)4/h6-10H,5,20H2,1-4H3,(H2,21,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Syntide 2 as substrate assessed as decrease in depletion of ATP after 90 mins by Kinase glo l...				Bioorg Med Chem Lett 26: 5487-5491 (2016) Article DOI: 10.1016/j.bmcl.2016.10.014 BindingDB Entry DOI: 10.7270/Q2J968BR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50446180 (CHEMBL3108998 | US9518026, Example 25 | US9956214,...) Show SMILES COc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C19H22N4O2/c1-19(2,3)23-17(20)15(18(21)24)16(22-23)13-6-5-12-10-14(25-4)8-7-11(12)9-13/h5-10H,20H2,1-4H3,(H2,21,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Syntide 2 as substrate assessed as decrease in depletion of ATP after 90 mins by Kinase glo l...				Bioorg Med Chem Lett 26: 5487-5491 (2016) Article DOI: 10.1016/j.bmcl.2016.10.014 BindingDB Entry DOI: 10.7270/Q2J968BR
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50446181 (CHEMBL3108912 | US9518026, Example 1 | US9956214, ...) Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1 Show InChI InChI=1S/C18H20N4O/c1-18(2,3)22-16(19)14(17(20)23)15(21-22)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,19H2,1-3H3,(H2,20,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Syntide 2 as substrate assessed as decrease in depletion of ATP after 90 mins by Kinase glo l...				Bioorg Med Chem Lett 26: 5487-5491 (2016) Article DOI: 10.1016/j.bmcl.2016.10.014 BindingDB Entry DOI: 10.7270/Q2J968BR
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50446181 (CHEMBL3108912 | US9518026, Example 1 | US9956214, ...) Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1 Show InChI InChI=1S/C18H20N4O/c1-18(2,3)22-16(19)14(17(20)23)15(21-22)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,19H2,1-3H3,(H2,20,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate				ACS Med Chem Lett 5: 40-44 (2014) Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50446180 (CHEMBL3108998 | US9518026, Example 25 | US9956214,...) Show SMILES COc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C19H22N4O2/c1-19(2,3)23-17(20)15(18(21)24)16(22-23)13-6-5-12-10-14(25-4)8-7-11(12)9-13/h5-10H,20H2,1-4H3,(H2,21,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate				ACS Med Chem Lett 5: 40-44 (2014) Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50446179 (CHEMBL3109011 | US9518026, Example 39 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C19H23N5O2/c1-5-26-13-7-6-11-8-12(10-22-14(11)9-13)16-15(18(21)25)17(20)24(23-16)19(2,3)4/h6-10H,5,20H2,1-4H3,(H2,21,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate				ACS Med Chem Lett 5: 40-44 (2014) Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50534385 (CHEMBL4537636) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C23H25N5O2/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)25-14-26-23(20)28(27-21)13-15-7-9-29-10-8-15/h3-6,11-12,14-15H,2,7-10,13H2,1H3,(H2,24,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	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 UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50534388 (CHEMBL4573817) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C22H24N6O2/c1-2-30-18-6-4-15-11-16(3-5-17(15)26-18)20-19-21(23)24-13-25-22(19)28(27-20)12-14-7-9-29-10-8-14/h3-6,11,13-14H,2,7-10,12H2,1H3,(H2,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	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 UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	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 UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	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 UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	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 UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50389704 (CHEMBL2070081 | US10544104, Compound 150 | US95180...) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C24H28N6O/c1-3-31-20-7-6-17-12-19(5-4-18(17)13-20)22-21-23(25)26-15-27-24(21)30(28-22)14-16-8-10-29(2)11-9-16/h4-7,12-13,15-16H,3,8-11,14H2,1-2H3,(H2,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50534389 (CHEMBL4587540) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CNC2)c2ncnc(N)c12 Show InChI InChI=1S/C21H22N6O/c1-2-28-17-6-5-14-7-16(4-3-15(14)8-17)19-18-20(22)24-12-25-21(18)27(26-19)11-13-9-23-10-13/h3-8,12-13,23H,2,9-11H2,1H3,(H2,22,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	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 UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50446178 (CHEMBL3108913 | US9518026, Example 3 | US9956214, ...) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C20H24N4O2/c1-5-26-15-9-8-12-10-14(7-6-13(12)11-15)17-16(19(22)25)18(21)24(23-17)20(2,3)4/h6-11H,5,21H2,1-4H3,(H2,22,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate				ACS Med Chem Lett 5: 40-44 (2014) Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50446177 (CHEMBL3108991 | US9518026, Example 18 | US9956214,...) Show SMILES NC(=O)c1c(N)n(CC(F)(F)F)nc1-c1ccc2ccccc2c1 Show InChI InChI=1S/C16H13F3N4O/c17-16(18,19)8-23-14(20)12(15(21)24)13(22-23)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8,20H2,(H2,21,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate				ACS Med Chem Lett 5: 40-44 (2014) Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50446177 (CHEMBL3108991 | US9518026, Example 18 | US9956214,...) Show SMILES NC(=O)c1c(N)n(CC(F)(F)F)nc1-c1ccc2ccccc2c1 Show InChI InChI=1S/C16H13F3N4O/c17-16(18,19)8-23-14(20)12(15(21)24)13(22-23)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8,20H2,(H2,21,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Syntide 2 as substrate assessed as decrease in depletion of ATP after 90 mins by Kinase glo l...				Bioorg Med Chem Lett 26: 5487-5491 (2016) Article DOI: 10.1016/j.bmcl.2016.10.014 BindingDB Entry DOI: 10.7270/Q2J968BR
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50446178 (CHEMBL3108913 | US9518026, Example 3 | US9956214, ...) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C20H24N4O2/c1-5-26-15-9-8-12-10-14(7-6-13(12)11-15)17-16(19(22)25)18(21)24(23-17)20(2,3)4/h6-11H,5,21H2,1-4H3,(H2,22,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Syntide 2 as substrate assessed as decrease in depletion of ATP after 90 mins by Kinase glo l...				Bioorg Med Chem Lett 26: 5487-5491 (2016) Article DOI: 10.1016/j.bmcl.2016.10.014 BindingDB Entry DOI: 10.7270/Q2J968BR
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50534387 (CHEMBL4582694) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CN(C2)C(C)=O)c2ncnc(N)c12 Show InChI InChI=1S/C23H24N6O2/c1-3-31-19-7-6-16-8-18(5-4-17(16)9-19)21-20-22(24)25-13-26-23(20)29(27-21)12-15-10-28(11-15)14(2)30/h4-9,13,15H,3,10-12H2,1-2H3,(H2,24,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	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 UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM416539 (US10307425, Example 5 | US10632122, Example 5) Show SMILES CN(C)CC(C)(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C12H19IN6/c1-12(2,5-18(3)4)6-19-11-8(9(13)17-19)10(14)15-7-16-11/h7H,5-6H2,1-4H3,(H2,14,15,16)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148750 (CHEMBL3770299 | US9518026, Example 71 | US9956214,...) Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2nc(OC3CC3)ccc2c1 Show InChI InChI=1S/C20H23N5O2/c1-20(2,3)25-18(21)16(19(22)26)17(24-25)12-4-8-14-11(10-12)5-9-15(23-14)27-13-6-7-13/h4-5,8-10,13H,6-7,21H2,1-3H3,(H2,22,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148731 (CHEMBL3771242 | US9518026, Example 68 | US9956214,...) Show SMILES CCCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C20H25N5O2/c1-5-8-27-14-7-6-12-9-13(11-23-15(12)10-14)17-16(19(22)26)18(21)25(24-17)20(2,3)4/h6-7,9-11H,5,8,21H2,1-4H3,(H2,22,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50446176 (CHEMBL3108996 | US9518026, Example 23 | US9956214,...) Show SMILES NC(=O)c1c(N)n(CCN2CCOCC2)nc1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N5O2/c21-19-17(20(22)26)18(16-6-5-14-3-1-2-4-15(14)13-16)23-25(19)8-7-24-9-11-27-12-10-24/h1-6,13H,7-12,21H2,(H2,22,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate				ACS Med Chem Lett 5: 40-44 (2014) Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148750 (CHEMBL3770299 | US9518026, Example 71 | US9956214,...) Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2nc(OC3CC3)ccc2c1 Show InChI InChI=1S/C20H23N5O2/c1-20(2,3)25-18(21)16(19(22)26)17(24-25)12-4-8-14-11(10-12)5-9-15(23-14)27-13-6-7-13/h4-5,8-10,13H,6-7,21H2,1-3H3,(H2,22,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Syntide 2 as substrate assessed as decrease in depletion of ATP after 90 mins by Kinase glo l...				Bioorg Med Chem Lett 26: 5487-5491 (2016) Article DOI: 10.1016/j.bmcl.2016.10.014 BindingDB Entry DOI: 10.7270/Q2J968BR
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148728 (CHEMBL3770425 | US9518026, Example 65 | US9956214,...) Show SMILES COc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C18H21N5O2/c1-18(2,3)23-16(19)14(17(20)24)15(22-23)11-7-10-5-6-12(25-4)8-13(10)21-9-11/h5-9H,19H2,1-4H3,(H2,20,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Syntide 2 as substrate assessed as decrease in depletion of ATP after 90 mins by Kinase glo l...				Bioorg Med Chem Lett 26: 5487-5491 (2016) Article DOI: 10.1016/j.bmcl.2016.10.014 BindingDB Entry DOI: 10.7270/Q2J968BR
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148728 (CHEMBL3770425 | US9518026, Example 65 | US9956214,...) Show SMILES COc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C18H21N5O2/c1-18(2,3)23-16(19)14(17(20)24)15(22-23)11-7-10-5-6-12(25-4)8-13(10)21-9-11/h5-9H,19H2,1-4H3,(H2,20,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148652 (CHEMBL3770802 | US9518026, Example 57 | US9956214,...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCC2)c(N)c1C(N)=O Show InChI InChI=1S/C21H25N5O2/c1-2-28-17-11-9-13-12-14(8-10-16(13)24-17)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM416540 (US10307425, Example 6 | US10632122, Example 6) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC(C)(C)O)c2ncnc(N)c12 Show InChI InChI=1S/C9H12IN5O/c1-9(2,16)3-15-8-5(6(10)14-15)7(11)12-4-13-8/h4,16H,3H2,1-2H3,(H2,11,12,13)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148652 (CHEMBL3770802 | US9518026, Example 57 | US9956214,...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCC2)c(N)c1C(N)=O Show InChI InChI=1S/C21H25N5O2/c1-2-28-17-11-9-13-12-14(8-10-16(13)24-17)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Syntide 2 as substrate assessed as decrease in depletion of ATP after 90 mins by Kinase glo l...				Bioorg Med Chem Lett 26: 5487-5491 (2016) Article DOI: 10.1016/j.bmcl.2016.10.014 BindingDB Entry DOI: 10.7270/Q2J968BR
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50446175 (CHEMBL3108986 | US9518026, Example 13 | US9956214,...) Show SMILES CC(C)n1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1 Show InChI InChI=1S/C17H18N4O/c1-10(2)21-16(18)14(17(19)22)15(20-21)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,18H2,1-2H3,(H2,19,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Syntide 2 as substrate assessed as decrease in depletion of ATP after 90 mins by Kinase glo l...				Bioorg Med Chem Lett 26: 5487-5491 (2016) Article DOI: 10.1016/j.bmcl.2016.10.014 BindingDB Entry DOI: 10.7270/Q2J968BR
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148641 (CHEMBL3770649 | US9518026, Example 49 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCCCC2)c(N)c1C(N)=O Show InChI InChI=1S/C22H27N5O2/c1-2-29-17-10-9-14-11-15(13-25-18(14)12-17)20-19(22(24)28)21(23)27(26-20)16-7-5-3-4-6-8-16/h9-13,16H,2-8,23H2,1H3,(H2,24,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Syntide 2 as substrate assessed as decrease in depletion of ATP after 90 mins by Kinase glo l...				Bioorg Med Chem Lett 26: 5487-5491 (2016) Article DOI: 10.1016/j.bmcl.2016.10.014 BindingDB Entry DOI: 10.7270/Q2J968BR
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50534384 (CHEMBL4558606) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CN(C)C2)c2ncnc(N)c12 Show InChI InChI=1S/C22H24N6O/c1-3-29-18-7-6-15-8-17(5-4-16(15)9-18)20-19-21(23)24-13-25-22(19)28(26-20)12-14-10-27(2)11-14/h4-9,13-14H,3,10-12H2,1-2H3,(H2,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...				J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 BindingDB Entry DOI: 10.7270/Q2XW4P8B
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148641 (CHEMBL3770649 | US9518026, Example 49 | US9956214,...) Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCCCC2)c(N)c1C(N)=O Show InChI InChI=1S/C22H27N5O2/c1-2-29-17-10-9-14-11-15(13-25-18(14)12-17)20-19(22(24)28)21(23)27(26-20)16-7-5-3-4-6-8-16/h9-13,16H,2-8,23H2,1H3,(H2,24,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148649 (CHEMBL3771306 | US9518026, Example 55 | US9956214,...) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C19H23N5O2/c1-5-26-14-9-7-11-10-12(6-8-13(11)22-14)16-15(18(21)25)17(20)24(23-16)19(2,3)4/h6-10H,5,20H2,1-4H3,(H2,21,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50148723 (CHEMBL3769459 | US9518026, Example 60 | US9956214,...) Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(F)ccc2c1 Show InChI InChI=1S/C17H18FN5O/c1-17(2,3)23-15(19)13(16(20)24)14(22-23)10-6-9-4-5-11(18)7-12(9)21-8-10/h4-8H,19H2,1-3H3,(H2,20,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...				ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50446174 (CHEMBL3109010 | US9518026, Example 38 | US9956214,...) Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2ccccc2c1 Show InChI InChI=1S/C17H19N5O/c1-17(2,3)22-15(18)13(16(19)23)14(21-22)11-8-10-6-4-5-7-12(10)20-9-11/h4-9H,18H2,1-3H3,(H2,19,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate				ACS Med Chem Lett 5: 40-44 (2014) Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50446175 (CHEMBL3108986 | US9518026, Example 13 | US9956214,...) Show SMILES CC(C)n1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1 Show InChI InChI=1S/C17H18N4O/c1-10(2)21-16(18)14(17(19)22)15(20-21)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,18H2,1-2H3,(H2,19,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate				ACS Med Chem Lett 5: 40-44 (2014) Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ
					More data for this Ligand-Target Pair

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