Compile Data Set for Download or QSAR

Found 150 hits with Last Name = 'carruthers' and Initial = 'vb'   

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)	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)	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)	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
Toxopain-2 (Toxoplasma gondii)	BDBM50271690 (CHEMBL222649) Show SMILES CC(C)C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C28H37N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,15,20,22,24,26H,13-14,16-19,21H2,1-2H3,(H,29,32)(H,30,33)/b20-15+/t24-,26-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	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 Michigan Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins ...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					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)
Procathepsin L (Homo sapiens (Human))	BDBM50271690 (CHEMBL222649) Show SMILES CC(C)C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C28H37N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,15,20,22,24,26H,13-14,16-19,21H2,1-2H3,(H,29,32)(H,30,33)/b20-15+/t24-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by spectroph...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					More data for this Ligand-Target Pair
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)	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)	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)	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)	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)	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)	BDBM416549 (US10307425, Example 15 | US10632122, Example 15) Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C27H33N7O3/c1-5-36-21-9-7-18-14-19(6-8-20(18)31-21)23-22-24(28)29-16-30-25(22)34(32-23)15-17-10-12-33(13-11-17)26(35)37-27(2,3)4/h6-9,14,16-17H,5,10-13,15H2,1-4H3,(H2,28,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	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)	BDBM50534391 (CHEMBL4445679) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(CC2)C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C26H32N6O/c1-4-33-22-8-7-19-13-21(6-5-20(19)14-22)24-23-25(27)28-16-29-26(23)32(30-24)15-18-9-11-31(12-10-18)17(2)3/h5-8,13-14,16-18H,4,9-12,15H2,1-3H3,(H2,27,28,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	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)	BDBM50534386 (CHEMBL4435505) Show SMILES CN1CCC(Cn2nc(-c3ccc4cc(OC5COC5)ccc4c3)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C25H28N6O2/c1-30-8-6-16(7-9-30)12-31-25-22(24(26)27-15-28-25)23(29-31)19-3-2-18-11-20(5-4-17(18)10-19)33-21-13-32-14-21/h2-5,10-11,15-16,21H,6-9,12-14H2,1H3,(H2,26,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	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)	BDBM50389715 (CHEMBL2070083) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(CC2)C(C)=O)c2ncnc(N)c12 Show InChI InChI=1S/C25H28N6O2/c1-3-33-21-7-6-18-12-20(5-4-19(18)13-21)23-22-24(26)27-15-28-25(22)31(29-23)14-17-8-10-30(11-9-17)16(2)32/h4-7,12-13,15,17H,3,8-11,14H2,1-2H3,(H2,26,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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)	BDBM416545 (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)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	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
Procathepsin L (Homo sapiens (Human))	BDBM50271681 (CHEMBL4129611) Show SMILES CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C16H21N3O2/c1-11(2)9-14(16(21)18-8-7-17)19-15(20)13-6-4-5-12(3)10-13/h4-6,10-11,14H,8-9H2,1-3H3,(H,18,21)(H,19,20)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by spectroph...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM416536 (US10307425, Example 2 | US10632122, Example 2) Show SMILES CC(C)(CO)Cn1nc(-c2ccc3nc(OCC(F)(F)F)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C11H7BrF3NO/c12-8-2-3-9-7(5-8)1-4-10(16-9)17-6-11(13,14)15/h1-5H,6H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	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)	BDBM416548 (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)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	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
Procathepsin L (Homo sapiens (Human))	BDBM50271692 (CHEMBL4126611) Show SMILES Oc1cccc(C[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C19H16F3N3O3/c20-19(21,22)14-5-2-4-13(11-14)17(27)25-16(18(28)24-8-7-23)10-12-3-1-6-15(26)9-12/h1-6,9,11,16,26H,8,10H2,(H,24,28)(H,25,27)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by spectroph...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM31993 (Dipeptidyl nitrile inhibitor, 26) Show SMILES Cc1cccc(C[C@H](NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C21H27N5O2/c1-14-7-6-8-15(11-14)12-16(19(27)23-10-9-22)24-20(28)17-13-18(21(2,3)4)25-26(17)5/h6-8,11,13,16H,10,12H2,1-5H3,(H,23,27)(H,24,28)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by spectroph...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM416547 (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)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	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
Procathepsin L (Homo sapiens (Human))	BDBM50271697 (CHEMBL4128244) Show SMILES CC(C)C[C@H](NC(=O)c1cccc(F)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C15H18FN3O2/c1-10(2)8-13(15(21)18-7-6-17)19-14(20)11-4-3-5-12(16)9-11/h3-5,9-10,13H,7-8H2,1-2H3,(H,18,21)(H,19,20)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by spectroph...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50271696 (CHEMBL4125776) Show SMILES CC(C)C[C@H](NC(=O)c1cccc(c1)C(C)(C)C)C(=O)NCC#N |r| Show InChI InChI=1S/C19H27N3O2/c1-13(2)11-16(18(24)21-10-9-20)22-17(23)14-7-6-8-15(12-14)19(3,4)5/h6-8,12-13,16H,10-11H2,1-5H3,(H,21,24)(H,22,23)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by spectroph...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ERG				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
Procathepsin L (Homo sapiens (Human))	BDBM50271685 (CHEMBL4128887) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C18H21F4N3O/c1-11(2)9-14(16(26)25-17(10-23)7-8-17)24-15(18(20,21)22)12-3-5-13(19)6-4-12/h3-6,11,14-15,24H,7-9H2,1-2H3,(H,25,26)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by spectroph...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50271694 (CHEMBL4127007) Show SMILES COc1cccc(C[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C20H18F3N3O3/c1-29-16-7-2-4-13(10-16)11-17(19(28)25-9-8-24)26-18(27)14-5-3-6-15(12-14)20(21,22)23/h2-7,10,12,17H,9,11H2,1H3,(H,25,28)(H,26,27)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by spectroph...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50271693 (CHEMBL4126455) Show SMILES CC(C)(C)c1cccc(c1)C(=O)N[C@@H](Cc1cccc(O)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C22H25N3O3/c1-22(2,3)17-8-5-7-16(14-17)20(27)25-19(21(28)24-11-10-23)13-15-6-4-9-18(26)12-15/h4-9,12,14,19,26H,11,13H2,1-3H3,(H,24,28)(H,25,27)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by spectroph...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50271714 (CHEMBL4126546) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C16H19F4N3O/c1-10(2)9-13(15(24)22-8-7-21)23-14(16(18,19)20)11-3-5-12(17)6-4-11/h3-6,10,13-14,23H,8-9H2,1-2H3,(H,22,24)/t13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by spectroph...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM416542 (US10307425, Example 8 | US10632122, Example 8) Show SMILES Nc1ncnc2n(CC(O)(C(F)(F)F)C(F)(F)F)nc(-c3ccc4cc(OC5CC5)ccc4c3)c12 Show InChI InChI=1S/C9H6F6IN5O/c10-8(11,12)7(22,9(13,14)15)1-21-6-3(4(16)20-21)5(17)18-2-19-6/h2,22H,1H2,(H2,17,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	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
Toxopain-2 (Toxoplasma gondii)	BDBM50271714 (CHEMBL4126546) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C16H19F4N3O/c1-10(2)9-13(15(24)22-8-7-21)23-14(16(18,19)20)11-3-5-12(17)6-4-11/h3-6,10,13-14,23H,8-9H2,1-2H3,(H,22,24)/t13-,14-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins ...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19861 ((2S)-N-(cyanomethyl)-4-methyl-2-(phenylformamido)p...) Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N |r| Show InChI InChI=1S/C15H19N3O2/c1-11(2)10-13(15(20)17-9-8-16)18-14(19)12-6-4-3-5-7-12/h3-7,11,13H,9-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by spectroph...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50271689 (CHEMBL4130028) Show SMILES Cc1cccc(C[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C20H18F3N3O2/c1-13-4-2-5-14(10-13)11-17(19(28)25-9-8-24)26-18(27)15-6-3-7-16(12-15)20(21,22)23/h2-7,10,12,17H,9,11H2,1H3,(H,25,28)(H,26,27)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by spectroph...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					More data for this Ligand-Target Pair
Toxopain-2 (Toxoplasma gondii)	BDBM50271696 (CHEMBL4125776) Show SMILES CC(C)C[C@H](NC(=O)c1cccc(c1)C(C)(C)C)C(=O)NCC#N |r| Show InChI InChI=1S/C19H27N3O2/c1-13(2)11-16(18(24)21-10-9-20)22-17(23)14-7-6-8-15(12-14)19(3,4)5/h6-8,12-13,16H,10-11H2,1-5H3,(H,21,24)(H,22,23)/t16-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins ...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					More data for this Ligand-Target Pair

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