Compile Data Set for Download or QSAR

Found 114 hits with Last Name = 'castellanos-gonzalez' and Initial = 'a'   

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)	BDBM50345725 (3-(3,4-dichlorophenyl)-1-isopropyl-1H-pyrazolo[3,4...) Show SMILES CC(C)n1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)ncnc12 Show InChI InChI=1S/C14H13Cl2N5/c1-7(2)21-14-11(13(17)18-6-19-14)12(20-21)8-3-4-9(15)10(16)5-8/h3-7H,1-2H3,(H2,17,18,19)	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 recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345738 (1-isopropyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]...) Show SMILES CC(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C18H17N5/c1-11(2)23-18-15(17(19)20-10-21-18)16(22-23)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H2,19,20,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MCE 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 recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345740 (3-(6-ethoxynaphthalen-2-yl)-1-isopropyl-1H-pyrazol...) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C20H21N5O/c1-4-26-16-8-7-13-9-15(6-5-14(13)10-16)18-17-19(21)22-11-23-20(17)25(24-18)12(2)3/h5-12H,4H2,1-3H3,(H2,21,22,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB 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 recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345735 (1-isopropyl-3-(4-methoxy-3-methylphenyl)-1H-pyrazo...) Show SMILES COc1ccc(cc1C)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C16H19N5O/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)11-5-6-12(22-4)10(3)7-11/h5-9H,1-4H3,(H2,17,18,19)	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 recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345739 (1-isopropyl-3-(6-methoxynaphthalen-2-yl)-1H-pyrazo...) Show SMILES COc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C19H19N5O/c1-11(2)24-19-16(18(20)21-10-22-19)17(23-24)14-5-4-13-9-15(25-3)7-6-12(13)8-14/h4-11H,1-3H3,(H2,20,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB 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 recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345730 (3-(3,4-dimethylphenyl)-1-isopropyl-1H-pyrazolo[3,4...) Show SMILES CC(C)n1nc(-c2ccc(C)c(C)c2)c2c(N)ncnc12 Show InChI InChI=1S/C16H19N5/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)12-6-5-10(3)11(4)7-12/h5-9H,1-4H3,(H2,17,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345731 (3-(4-fluoro-3-methylphenyl)-1-isopropyl-1H-pyrazol...) Show SMILES CC(C)n1nc(-c2ccc(F)c(C)c2)c2c(N)ncnc12 Show InChI InChI=1S/C15H16FN5/c1-8(2)21-15-12(14(17)18-7-19-15)13(20-21)10-4-5-11(16)9(3)6-10/h4-8H,1-3H3,(H2,17,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50388032 (CHEMBL2059165 | US10544104, Compound 91) Show SMILES O=C(NCCC1CCCNC1)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C22H25N5O2/c28-20(16-6-2-1-3-7-16)17-8-9-18-19(13-17)26-21(25-18)27-22(29)24-12-10-15-5-4-11-23-14-15/h1-3,6-9,13,15,23H,4-5,10-12,14H2,(H3,24,25,26,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 human ABL				Bioorg Med Chem Lett 22: 5264-7 (2012) Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345728 (1-isopropyl-3-p-tolyl-1H-pyrazolo[3,4-d]pyrimidin-...) Show SMILES CC(C)n1nc(-c2ccc(C)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C15H17N5/c1-9(2)20-15-12(14(16)17-8-18-15)13(19-20)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H2,16,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345727 (1-isopropyl-3-(3-isopropylphenyl)-1H-pyrazolo[3,4-...) Show SMILES CC(C)c1cccc(c1)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C17H21N5/c1-10(2)12-6-5-7-13(8-12)15-14-16(18)19-9-20-17(14)22(21-15)11(3)4/h5-11H,1-4H3,(H2,18,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50383378 (CHEMBL2030561) Show SMILES Nc1nc2ccc(cc2n1CC1CCNCC1)C(=O)c1ccccc1 Show InChI InChI=1S/C20H22N4O/c21-20-23-17-7-6-16(19(25)15-4-2-1-3-5-15)12-18(17)24(20)13-14-8-10-22-11-9-14/h1-7,12,14,22H,8-11,13H2,(H2,21,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB 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 Toxoplasma gondii CDPK1				Bioorg Med Chem Lett 22: 5264-7 (2012) Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345704 (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) Show SMILES CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-9-8-12-6-4-5-7-13(12)10-14/h4-11H,1-3H3,(H2,20,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB 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 Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345712 (3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)...) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Cc3cccc4ccccc34)c12 Show InChI InChI=1S/C22H24N6/c23-21-20-19(12-17-6-3-5-16-4-1-2-7-18(16)17)27-28(22(20)26-14-25-21)13-15-8-10-24-11-9-15/h1-7,14-15,24H,8-13H2,(H2,23,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB 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 Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345745 (3-(chroman-6-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyr...) Show SMILES CC(C)n1nc(-c2ccc3OCCCc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C17H19N5O/c1-10(2)22-17-14(16(18)19-9-20-17)15(21-22)12-5-6-13-11(8-12)4-3-7-23-13/h5-6,8-10H,3-4,7H2,1-2H3,(H2,18,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50388038 (CHEMBL2059171) Show SMILES O=C(CCCC1CCNCC1)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C23H26N4O2/c28-21(8-4-5-16-11-13-24-14-12-16)27-23-25-19-10-9-18(15-20(19)26-23)22(29)17-6-2-1-3-7-17/h1-3,6-7,9-10,15-16,24H,4-5,8,11-14H2,(H2,25,26,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	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				Bioorg Med Chem Lett 22: 5264-7 (2012) Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345723 (3-(4-chlorophenyl)-1-isopropyl-1H-pyrazolo[3,4-d]p...) Show SMILES CC(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C14H14ClN5/c1-8(2)20-14-11(13(16)17-7-18-14)12(19-20)9-3-5-10(15)6-4-9/h3-8H,1-2H3,(H2,16,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345729 (1-isopropyl-3-m-tolyl-1H-pyrazolo[3,4-d]pyrimidin-...) Show SMILES CC(C)n1nc(-c2cccc(C)c2)c2c(N)ncnc12 Show InChI InChI=1S/C15H17N5/c1-9(2)20-15-12(14(16)17-8-18-15)13(19-20)11-6-4-5-10(3)7-11/h4-9H,1-3H3,(H2,16,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50388047 (CHEMBL2059176) Show SMILES Nc1nc2ccc(cc2n1CCC1CCNCC1)C(=O)c1ccccc1 Show InChI InChI=1S/C21H24N4O/c22-21-24-18-7-6-17(20(26)16-4-2-1-3-5-16)14-19(18)25(21)13-10-15-8-11-23-12-9-15/h1-7,14-15,23H,8-13H2,(H2,22,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	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				Bioorg Med Chem Lett 22: 5264-7 (2012) Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345724 (3-(3-chlorophenyl)-1-isopropyl-1H-pyrazolo[3,4-d]p...) Show SMILES CC(C)n1nc(-c2cccc(Cl)c2)c2c(N)ncnc12 Show InChI InChI=1S/C14H14ClN5/c1-8(2)20-14-11(13(16)17-7-18-14)12(19-20)9-4-3-5-10(15)6-9/h3-8H,1-2H3,(H2,16,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50388035 (CHEMBL2059168) Show SMILES NCCCCCCC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C21H24N4O2/c22-13-7-2-1-6-10-19(26)25-21-23-17-12-11-16(14-18(17)24-21)20(27)15-8-4-3-5-9-15/h3-5,8-9,11-12,14H,1-2,6-7,10,13,22H2,(H2,23,24,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	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				Bioorg Med Chem Lett 22: 5264-7 (2012) Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345742 (1-isopropyl-3-(quinolin-3-yl)-1H-pyrazolo[3,4-d]py...) Show SMILES CC(C)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-7-11-5-3-4-6-13(11)19-8-12/h3-10H,1-2H3,(H2,18,20,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50388041 (CHEMBL2059353) Show SMILES Nc1nc2ccc(cc2n1CC[C@@H]1CCCN1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H22N4O/c21-20-23-17-9-8-15(19(25)14-5-2-1-3-6-14)13-18(17)24(20)12-10-16-7-4-11-22-16/h1-3,5-6,8-9,13,16,22H,4,7,10-12H2,(H2,21,23)/t16-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	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				Bioorg Med Chem Lett 22: 5264-7 (2012) Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50388040 (CHEMBL2059177) Show SMILES CN1CCC(CCn2c(N)nc3ccc(cc23)C(=O)c2ccccc2)CC1 Show InChI InChI=1S/C22H26N4O/c1-25-12-9-16(10-13-25)11-14-26-20-15-18(7-8-19(20)24-22(26)23)21(27)17-5-3-2-4-6-17/h2-8,15-16H,9-14H2,1H3,(H2,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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				Bioorg Med Chem Lett 22: 5264-7 (2012) Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50298225 (CHEMBL2069955 | CHEMBL573578 | NM-PP1 | US10544104...) Show SMILES CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12 Show InChI InChI=1S/C20H21N5/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,21,22,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345717 (1-(1-ethylpiperidin-4-yl)-3-(naphthalen-1-ylmethyl...) Show SMILES CCN1CCC(CC1)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12 Show InChI InChI=1S/C23H26N6/c1-2-28-12-10-18(11-13-28)29-23-21(22(24)25-15-26-23)20(27-29)14-17-8-5-7-16-6-3-4-9-19(16)17/h3-9,15,18H,2,10-14H2,1H3,(H2,24,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345733 (3-(3,4-dimethoxyphenyl)-1-isopropyl-1H-pyrazolo[3,...) Show SMILES COc1ccc(cc1OC)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C16H19N5O2/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)10-5-6-11(22-3)12(7-10)23-4/h5-9H,1-4H3,(H2,17,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345732 (1-isopropyl-3-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]...) Show SMILES COc1ccc(cc1)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C15H17N5O/c1-9(2)20-15-12(14(16)17-8-18-15)13(19-20)10-4-6-11(21-3)7-5-10/h4-9H,1-3H3,(H2,16,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50388037 (CHEMBL2059170) Show SMILES O=C(CCC1CCNCC1)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C22H24N4O2/c27-20(9-6-15-10-12-23-13-11-15)26-22-24-18-8-7-17(14-19(18)25-22)21(28)16-4-2-1-3-5-16/h1-5,7-8,14-15,23H,6,9-13H2,(H2,24,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	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				Bioorg Med Chem Lett 22: 5264-7 (2012) Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50388042 (CHEMBL2059361) Show SMILES CN1CCN(CCn2c(N)nc3ccc(cc23)C(=O)c2ccccc2)CC1 Show InChI InChI=1S/C21H25N5O/c1-24-9-11-25(12-10-24)13-14-26-19-15-17(7-8-18(19)23-21(26)22)20(27)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H2,22,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	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				Bioorg Med Chem Lett 22: 5264-7 (2012) Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345743 (3-(benzo[d][1,3]dioxol-5-yl)-1-isopropyl-1H-pyrazo...) Show SMILES CC(C)n1nc(-c2ccc3OCOc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C15H15N5O2/c1-8(2)20-15-12(14(16)17-6-18-15)13(19-20)9-3-4-10-11(5-9)22-7-21-10/h3-6,8H,7H2,1-2H3,(H2,16,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345726 (1-isopropyl-3-(4-isopropylphenyl)-1H-pyrazolo[3,4-...) Show SMILES CC(C)c1ccc(cc1)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C17H21N5/c1-10(2)12-5-7-13(8-6-12)15-14-16(18)19-9-20-17(14)22(21-15)11(3)4/h5-11H,1-4H3,(H2,18,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL 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 Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Cryptosporidium hominis)	BDBM50058024 (CHEMBL2426247) Show SMILES Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r| Show InChI InChI=1S/C19H19N5O6/c20-19-23-15-14(17(28)24-19)11(8-21-15)7-9-1-3-10(4-2-9)16(27)22-12(18(29)30)5-6-13(25)26/h1-4,8,12H,5-7H2,(H,22,27)(H,25,26)(H,29,30)(H4,20,21,23,24,28)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of DHFR activity of Cryptosporidium hominis bifunctional dihydrofolate reductase-thymidylate synthase assessed as reduction in NADPH oxida...				Bioorg Med Chem Lett 24: 4158-61 (2014) Article DOI: 10.1016/j.bmcl.2014.07.049 BindingDB Entry DOI: 10.7270/Q2V69M7F
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345713 (3-(naphthalen-1-ylmethyl)-1-(2-(piperidin-4-yl)eth...) Show SMILES Nc1ncnc2n(CCC3CCNCC3)nc(Cc3cccc4ccccc34)c12 Show InChI InChI=1S/C23H26N6/c24-22-21-20(14-18-6-3-5-17-4-1-2-7-19(17)18)28-29(23(21)27-15-26-22)13-10-16-8-11-25-12-9-16/h1-7,15-16,25H,8-14H2,(H2,24,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345720 (1-(1-(methylsulfonyl)piperidin-4-yl)-3-(naphthalen...) Show SMILES CS(=O)(=O)N1CCC(CC1)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12 Show InChI InChI=1S/C22H24N6O2S/c1-31(29,30)27-11-9-17(10-12-27)28-22-20(21(23)24-14-25-22)19(26-28)13-16-7-4-6-15-5-2-3-8-18(15)16/h2-8,14,17H,9-13H2,1H3,(H2,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345750 (1-isopropyl-3-(3-(methylthio)phenyl)-1H-pyrazolo[3...) Show SMILES CSc1cccc(c1)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C15H17N5S/c1-9(2)20-15-12(14(16)17-8-18-15)13(19-20)10-5-4-6-11(7-10)21-3/h4-9H,1-3H3,(H2,16,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345711 (3-(naphthalen-1-ylmethyl)-1-(piperidin-4-yl)-1H-py...) Show SMILES Nc1ncnc2n(nc(Cc3cccc4ccccc34)c12)C1CCNCC1 Show InChI InChI=1S/C21H22N6/c22-20-19-18(12-15-6-3-5-14-4-1-2-7-17(14)15)26-27(21(19)25-13-24-20)16-8-10-23-11-9-16/h1-7,13,16,23H,8-12H2,(H2,22,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50388036 (CHEMBL2059169) Show SMILES O=C(CC1CCNCC1)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C21H22N4O2/c26-19(12-14-8-10-22-11-9-14)25-21-23-17-7-6-16(13-18(17)24-21)20(27)15-4-2-1-3-5-15/h1-7,13-14,22H,8-12H2,(H2,23,24,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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				Bioorg Med Chem Lett 22: 5264-7 (2012) Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50388055 (CHEMBL2059358) Show SMILES CC(C)(C)Cn1c(N)nc2ccc(cc12)C(=O)c1ccccc1 Show InChI InChI=1S/C19H21N3O/c1-19(2,3)12-22-16-11-14(9-10-15(16)21-18(22)20)17(23)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H2,20,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	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				Bioorg Med Chem Lett 22: 5264-7 (2012) Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50388052 (CHEMBL2059355) Show SMILES Nc1nc2ccc(cc2n1CC[C@H]1CCCN1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H22N4O/c21-20-23-17-9-8-15(19(25)14-5-2-1-3-6-14)13-18(17)24(20)12-10-16-7-4-11-22-16/h1-3,5-6,8-9,13,16,22H,4,7,10-12H2,(H2,21,23)/t16-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	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				Bioorg Med Chem Lett 22: 5264-7 (2012) Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50388054 (CHEMBL2059357) Show SMILES CC(C)Cn1c(N)nc2ccc(cc12)C(=O)c1ccccc1 Show InChI InChI=1S/C18H19N3O/c1-12(2)11-21-16-10-14(8-9-15(16)20-18(21)19)17(22)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H2,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	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				Bioorg Med Chem Lett 22: 5264-7 (2012) Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50388051 (CHEMBL2059354) Show SMILES CN1CCC[C@H]1CCn1c(N)nc2ccc(cc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H24N4O/c1-24-12-5-8-17(24)11-13-25-19-14-16(9-10-18(19)23-21(25)22)20(26)15-6-3-2-4-7-15/h2-4,6-7,9-10,14,17H,5,8,11-13H2,1H3,(H2,22,23)/t17-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	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				Bioorg Med Chem Lett 22: 5264-7 (2012) Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50388034 (CHEMBL2059167) Show SMILES NCCCC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C18H18N4O2/c19-10-4-7-16(23)22-18-20-14-9-8-13(11-15(14)21-18)17(24)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,19H2,(H2,20,21,22,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	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				Bioorg Med Chem Lett 22: 5264-7 (2012) Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345714 (1-(4-(4-amino-3-(naphthalen-1-ylmethyl)-1H-pyrazol...) Show SMILES CC(=O)N1CCC(CC1)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12 Show InChI InChI=1S/C23H24N6O/c1-15(30)28-11-9-18(10-12-28)29-23-21(22(24)25-14-26-23)20(27-29)13-17-7-4-6-16-5-2-3-8-19(16)17/h2-8,14,18H,9-13H2,1H3,(H2,24,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345719 (1-(2-(1-ethylpiperidin-4-yl)ethyl)-3-(naphthalen-1...) Show SMILES CCN1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C25H30N6/c1-2-30-13-10-18(11-14-30)12-15-31-25-23(24(26)27-17-28-25)22(29-31)16-20-8-5-7-19-6-3-4-9-21(19)20/h3-9,17-18H,2,10-16H2,1H3,(H2,26,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL 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 Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50388030 (CHEMBL170250 | US10544104, Compound 90) Show SMILES OCCNC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C17H16N4O3/c22-9-8-18-17(24)21-16-19-13-7-6-12(10-14(13)20-16)15(23)11-4-2-1-3-5-11/h1-7,10,22H,8-9H2,(H3,18,19,20,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	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 human ABL				Bioorg Med Chem Lett 22: 5264-7 (2012) Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50388031 (CHEMBL2059164) Show SMILES O=C(NCCC1CCNCC1)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C22H25N5O2/c28-20(16-4-2-1-3-5-16)17-6-7-18-19(14-17)26-21(25-18)27-22(29)24-13-10-15-8-11-23-12-9-15/h1-7,14-15,23H,8-13H2,(H3,24,25,26,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ABL				Bioorg Med Chem Lett 22: 5264-7 (2012) Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345716 (1-(4-(2-(4-amino-3-(naphthalen-1-ylmethyl)-1H-pyra...) Show SMILES CC(=O)N1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C25H28N6O/c1-17(32)30-12-9-18(10-13-30)11-14-31-25-23(24(26)27-16-28-25)22(29-31)15-20-7-4-6-19-5-2-3-8-21(19)20/h2-8,16,18H,9-15H2,1H3,(H2,26,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50388032 (CHEMBL2059165 | US10544104, Compound 91) Show SMILES O=C(NCCC1CCCNC1)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C22H25N5O2/c28-20(16-6-2-1-3-7-16)17-8-9-18-19(13-17)26-21(25-18)27-22(29)24-12-10-15-5-4-11-23-14-15/h1-3,6-9,13,15,23H,4-5,10-12,14H2,(H3,24,25,26,27,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL 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 Washington Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii CDPK1				Bioorg Med Chem Lett 22: 5264-7 (2012) Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50388053 (CHEMBL2059356) Show SMILES Nc1nc2ccc(cc2n1C[C@H]1CCNC1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H20N4O/c20-19-22-16-7-6-15(18(24)14-4-2-1-3-5-14)10-17(16)23(19)12-13-8-9-21-11-13/h1-7,10,13,21H,8-9,11-12H2,(H2,20,22)/t13-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL 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 Washington Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii CDPK1				Bioorg Med Chem Lett 22: 5264-7 (2012) Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50345722 (1-(2-(1-(methylsulfonyl)piperidin-4-yl)ethyl)-3-(n...) Show SMILES CS(=O)(=O)N1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1 Show InChI InChI=1S/C24H28N6O2S/c1-33(31,32)29-12-9-17(10-13-29)11-14-30-24-22(23(25)26-16-27-24)21(28-30)15-19-7-4-6-18-5-2-3-8-20(18)19/h2-8,16-17H,9-15H2,1H3,(H2,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL 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 Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
					More data for this Ligand-Target Pair

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