Compile Data Set for Download or QSAR

Found 344 hits Enz. Inhib. hit(s) with all data for entry = 1797   

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
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	BDBM50389702 (CHEMBL2070069 | US10544104, Compound 39 | US112479...) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccc(Cl)cc5)ccc4c3)c12 Show InChI InChI=1S/C28H27ClN6O/c29-23-6-1-19(2-7-23)16-36-24-8-5-20-13-22(4-3-21(20)14-24)26-25-27(30)32-17-33-28(25)35(34-26)15-18-9-11-31-12-10-18/h1-8,13-14,17-18,31H,9-12,15-16H2,(H2,30,32,33)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50389687 (CHEMBL2070054 | US10544104, Compound 41 | US112479...) Show SMILES CC(C)n1nc(-c2ccc3cc(OCC=C)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C21H21N5O/c1-4-9-27-17-8-7-14-10-16(6-5-15(14)11-17)19-18-20(22)23-12-24-21(18)26(25-19)13(2)3/h4-8,10-13H,1,9H2,2-3H3,(H2,22,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	BDBM50389700 (CHEMBL2070067 | US10544104, Compound 38 | US112479...) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5cccc(Cl)c5)ccc4c3)c12 Show InChI InChI=1S/C28H27ClN6O/c29-23-3-1-2-19(12-23)16-36-24-7-6-20-13-22(5-4-21(20)14-24)26-25-27(30)32-17-33-28(25)35(34-26)15-18-8-10-31-11-9-18/h1-7,12-14,17-18,31H,8-11,15-16H2,(H2,30,32,33)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50389700 (CHEMBL2070067 | US10544104, Compound 38 | US112479...) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5cccc(Cl)c5)ccc4c3)c12 Show InChI InChI=1S/C28H27ClN6O/c29-23-3-1-2-19(12-23)16-36-24-7-6-20-13-22(5-4-21(20)14-24)26-25-27(30)32-17-33-28(25)35(34-26)15-18-8-10-31-11-9-18/h1-7,12-14,17-18,31H,8-11,15-16H2,(H2,30,32,33)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50389702 (CHEMBL2070069 | US10544104, Compound 39 | US112479...) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccc(Cl)cc5)ccc4c3)c12 Show InChI InChI=1S/C28H27ClN6O/c29-23-6-1-19(2-7-23)16-36-24-8-5-20-13-22(4-3-21(20)14-24)26-25-27(30)32-17-33-28(25)35(34-26)15-18-9-11-31-12-10-18/h1-8,13-14,17-18,31H,9-12,15-16H2,(H2,30,32,33)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50389695 (CHEMBL2070062 | US10544104, Compound 40 | US112479...) Show SMILES CC(C)n1nc(-c2ccc3cc(OCc4ccccc4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C25H23N5O/c1-16(2)30-25-22(24(26)27-15-28-25)23(29-30)20-9-8-19-13-21(11-10-18(19)12-20)31-14-17-6-4-3-5-7-17/h3-13,15-16H,14H2,1-2H3,(H2,26,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	BDBM50389698 (CHEMBL2070065 | US10544104, Compound 37 | US112479...) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccccc5Cl)ccc4c3)c12 Show InChI InChI=1S/C28H27ClN6O/c29-24-4-2-1-3-22(24)16-36-23-8-7-19-13-21(6-5-20(19)14-23)26-25-27(30)32-17-33-28(25)35(34-26)15-18-9-11-31-12-10-18/h1-8,13-14,17-18,31H,9-12,15-16H2,(H2,30,32,33)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50389694 (CHEMBL2070060 | US10544104, Compound 42 | US112479...) Show SMILES CCCCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C22H25N5O/c1-4-5-10-28-18-9-8-15-11-17(7-6-16(15)12-18)20-19-21(23)24-13-25-22(19)27(26-20)14(2)3/h6-9,11-14H,4-5,10H2,1-3H3,(H2,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50389698 (CHEMBL2070065 | US10544104, Compound 37 | US112479...) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccccc5Cl)ccc4c3)c12 Show InChI InChI=1S/C28H27ClN6O/c29-24-4-2-1-3-22(24)16-36-23-8-7-19-13-21(6-5-20(19)14-23)26-25-27(30)32-17-33-28(25)35(34-26)15-18-9-11-31-12-10-18/h1-8,13-14,17-18,31H,9-12,15-16H2,(H2,30,32,33)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	BDBM50389696 (CHEMBL2070063 | US10544104, Compound 34 | US112479...) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccccc5)ccc4c3)c12 Show InChI InChI=1S/C28H28N6O/c29-27-25-26(33-34(28(25)32-18-31-27)16-19-10-12-30-13-11-19)23-7-6-22-15-24(9-8-21(22)14-23)35-17-20-4-2-1-3-5-20/h1-9,14-15,18-19,30H,10-13,16-17H2,(H2,29,31,32)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	BDBM340945 (3-tert-butyl-1-(1-methyl-1H-indol-5- yl)imidazo[1,...) Show SMILES Cn1ccc2cc(ccc12)-c1nc(n2ccnc(N)c12)C(C)(C)C Show InChI InChI=1S/C19H21N5/c1-19(2,3)18-22-15(16-17(20)21-8-10-24(16)18)13-5-6-14-12(11-13)7-9-23(14)4/h5-11H,1-4H3,(H2,20,21)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	BDBM50383380 (CHEMBL2030553 | CHEMBL2070047 | US10544104, Compou...) Show SMILES COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C22H24N6O/c1-29-18-5-4-15-10-17(3-2-16(15)11-18)20-19-21(23)25-13-26-22(19)28(27-20)12-14-6-8-24-9-7-14/h2-5,10-11,13-14,24H,6-9,12H2,1H3,(H2,23,25,26)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50389696 (CHEMBL2070063 | US10544104, Compound 34 | US112479...) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccccc5)ccc4c3)c12 Show InChI InChI=1S/C28H28N6O/c29-27-25-26(33-34(28(25)32-18-31-27)16-19-10-12-30-13-11-19)23-7-6-22-15-24(9-8-21(22)14-23)35-17-20-4-2-1-3-5-20/h1-9,14-15,18-19,30H,10-13,16-17H2,(H2,29,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50389690 (CHEMBL2070056 | US10544104, Compound 33 | US112479...) Show SMILES CCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C24H28N6O/c1-2-11-31-20-6-5-17-12-19(4-3-18(17)13-20)22-21-23(25)27-15-28-24(21)30(29-22)14-16-7-9-26-10-8-16/h3-6,12-13,15-16,26H,2,7-11,14H2,1H3,(H2,25,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	BDBM50389734 (CHEMBL2069950 | US10544104, Compound 20 | US112479...) Show SMILES CC(C)n1nc(-c2ccc3n(C)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C17H18N6/c1-10(2)23-17-14(16(18)19-9-20-17)15(21-23)12-4-5-13-11(8-12)6-7-22(13)3/h4-10H,1-3H3,(H2,18,19,20)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50389688 (CHEMBL2069315 | US10544104, Compound 36 | US112479...) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCC=C)ccc4c3)c12 Show InChI InChI=1S/C24H26N6O/c1-2-11-31-20-6-5-17-12-19(4-3-18(17)13-20)22-21-23(25)27-15-28-24(21)30(29-22)14-16-7-9-26-10-8-16/h2-6,12-13,15-16,26H,1,7-11,14H2,(H2,25,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	BDBM50389688 (CHEMBL2069315 | US10544104, Compound 36 | US112479...) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCC=C)ccc4c3)c12 Show InChI InChI=1S/C24H26N6O/c1-2-11-31-20-6-5-17-12-19(4-3-18(17)13-20)22-21-23(25)27-15-28-24(21)30(29-22)14-16-7-9-26-10-8-16/h2-6,12-13,15-16,26H,1,7-11,14H2,(H2,25,27,28)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50389689 (CHEMBL2070055 | US10544104, Compound 12 | US112479...) Show SMILES CCCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C21H23N5O/c1-4-9-27-17-8-7-14-10-16(6-5-15(14)11-17)19-18-20(22)23-12-24-21(18)26(25-19)13(2)3/h5-8,10-13H,4,9H2,1-3H3,(H2,22,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	BDBM50383381 (CHEMBL2030554 | CHEMBL2070050 | US10544104, Compou...) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50389734 (CHEMBL2069950 | US10544104, Compound 20 | US112479...) Show SMILES CC(C)n1nc(-c2ccc3n(C)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C17H18N6/c1-10(2)23-17-14(16(18)19-9-20-17)15(21-23)12-4-5-13-11(8-12)6-7-22(13)3/h4-10H,1-3H3,(H2,18,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50389693 (CHEMBL2070059 | US10544104, Compound 44 | US112479...) Show SMILES CC(C)COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-16(2)14-32-21-6-5-18-11-20(4-3-19(18)12-21)23-22-24(26)28-15-29-25(22)31(30-23)13-17-7-9-27-10-8-17/h3-6,11-12,15-17,27H,7-10,13-14H2,1-2H3,(H2,26,28,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50389746 (CHEMBL2070061 | US10544104, Compound 35 | US112479...) Show SMILES CCCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-2-3-12-32-21-7-6-18-13-20(5-4-19(18)14-21)23-22-24(26)28-16-29-25(22)31(30-23)15-17-8-10-27-11-9-17/h4-7,13-14,16-17,27H,2-3,8-12,15H2,1H3,(H2,26,28,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50383381 (CHEMBL2030554 | CHEMBL2070050 | US10544104, Compou...) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM340899 (1-isopropyl-3-(4-methyl-1H-indol-2-yl)-1H- pyrazol...) Show SMILES CC(C)n1nc(-c2cc3c(C)cccc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C17H18N6/c1-9(2)23-17-14(16(18)19-8-20-17)15(22-23)13-7-11-10(3)5-4-6-12(11)21-13/h4-9,21H,1-3H3,(H2,18,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50389686 (CHEMBL2070053 | US10544104, Compound 32 | US112479...) Show SMILES CC(C)Oc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C24H28N6O/c1-15(2)31-20-6-5-17-11-19(4-3-18(17)12-20)22-21-23(25)27-14-28-24(21)30(29-22)13-16-7-9-26-10-8-16/h3-6,11-12,14-16,26H,7-10,13H2,1-2H3,(H2,25,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50389701 (CHEMBL2070068 | US10544104, Compound 56 | US112479...) Show SMILES CC(C)n1nc(-c2ccc3cc(OCc4ccc(Cl)cc4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C25H22ClN5O/c1-15(2)31-25-22(24(27)28-14-29-25)23(30-31)19-6-5-18-12-21(10-7-17(18)11-19)32-13-16-3-8-20(26)9-4-16/h3-12,14-15H,13H2,1-2H3,(H2,27,28,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
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	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	BDBM50389687 (CHEMBL2070054 | US10544104, Compound 41 | US112479...) Show SMILES CC(C)n1nc(-c2ccc3cc(OCC=C)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C21H21N5O/c1-4-9-27-17-8-7-14-10-16(6-5-15(14)11-17)19-18-20(22)23-12-24-21(18)26(25-19)13(2)3/h4-8,10-13H,1,9H2,2-3H3,(H2,22,23,24)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM340945 (3-tert-butyl-1-(1-methyl-1H-indol-5- yl)imidazo[1,...) Show SMILES Cn1ccc2cc(ccc12)-c1nc(n2ccnc(N)c12)C(C)(C)C Show InChI InChI=1S/C19H21N5/c1-19(2,3)18-22-15(16-17(20)21-8-10-24(16)18)13-5-6-14-12(11-13)7-9-23(14)4/h5-11H,1-4H3,(H2,20,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM340926 (3-(6-(3-chloro-5-fluorobenzyloxy)naphthalen-2- yl)...) Show SMILES CC(C)n1nc(-c2ccc3cc(OCc4cc(F)cc(Cl)c4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C25H21ClFN5O/c1-14(2)32-25-22(24(28)29-13-30-25)23(31-32)18-4-3-17-10-21(6-5-16(17)9-18)33-12-15-7-19(26)11-20(27)8-15/h3-11,13-14H,12H2,1-2H3,(H2,28,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	BDBM50389746 (CHEMBL2070061 | US10544104, Compound 35 | US112479...) Show SMILES CCCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-2-3-12-32-21-7-6-18-13-20(5-4-19(18)14-21)23-22-24(26)28-16-29-25(22)31(30-23)15-17-8-10-27-11-9-17/h4-7,13-14,16-17,27H,2-3,8-12,15H2,1H3,(H2,26,28,29)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM340944 (3-tert-butyl-1-(6-ethoxynaphthalen-2- yl)imidazo[1...) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nc(n2ccnc(N)c12)C(C)(C)C Show InChI InChI=1S/C22H24N4O/c1-5-27-17-9-8-14-12-16(7-6-15(14)13-17)18-19-20(23)24-10-11-26(19)21(25-18)22(2,3)4/h6-13H,5H2,1-4H3,(H2,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	BDBM50389690 (CHEMBL2070056 | US10544104, Compound 33 | US112479...) Show SMILES CCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C24H28N6O/c1-2-11-31-20-6-5-17-12-19(4-3-18(17)13-20)22-21-23(25)27-15-28-24(21)30(29-22)14-16-7-9-26-10-8-16/h3-6,12-13,15-16,26H,2,7-11,14H2,1H3,(H2,25,27,28)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM340881 (3-isopropyl-1-(naphthalen-2-yl)imidazo[1,5- a]pyra...) Show SMILES CC(C)c1nc(-c2ccc3ccccc3c2)c2c(N)nccn12 Show InChI InChI=1S/C19H18N4/c1-12(2)19-22-16(17-18(20)21-9-10-23(17)19)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H2,20,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM340946 (3-tert-butyl-1-(6-methoxynaphthalen-2- yl)imidazo[...) Show SMILES COc1ccc2cc(ccc2c1)-c1nc(n2ccnc(N)c12)C(C)(C)C Show InChI InChI=1S/C21H22N4O/c1-21(2,3)20-24-17(18-19(22)23-9-10-25(18)20)15-6-5-14-12-16(26-4)8-7-13(14)11-15/h5-12H,1-4H3,(H2,22,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50383380 (CHEMBL2030553 | CHEMBL2070047 | US10544104, Compou...) Show SMILES COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C22H24N6O/c1-29-18-5-4-15-10-17(3-2-16(15)11-18)20-19-21(23)25-13-26-22(19)28(27-20)12-14-6-8-24-9-7-14/h2-5,10-11,13-14,24H,6-9,12H2,1H3,(H2,23,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	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)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					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	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					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 US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					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	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	BDBM50389686 (CHEMBL2070053 | US10544104, Compound 32 | US112479...) Show SMILES CC(C)Oc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C24H28N6O/c1-15(2)31-20-6-5-17-11-19(4-3-18(17)12-20)22-21-23(25)27-14-28-24(21)30(29-22)13-16-7-9-26-10-8-16/h3-6,11-12,14-16,26H,7-10,13H2,1-2H3,(H2,25,27,28)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	BDBM340946 (3-tert-butyl-1-(6-methoxynaphthalen-2- yl)imidazo[...) Show SMILES COc1ccc2cc(ccc2c1)-c1nc(n2ccnc(N)c12)C(C)(C)C Show InChI InChI=1S/C21H22N4O/c1-21(2,3)20-24-17(18-19(22)23-9-10-25(18)20)15-6-5-14-12-16(26-4)8-7-13(14)11-15/h5-12H,1-4H3,(H2,22,23)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50389691 (CHEMBL2070057 | US10544104, Compound 43 | US112479...) Show SMILES CC(C)COc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C22H25N5O/c1-13(2)11-28-18-8-7-15-9-17(6-5-16(15)10-18)20-19-21(23)24-12-25-22(19)27(26-20)14(3)4/h5-10,12-14H,11H2,1-4H3,(H2,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (Toxoplasma gondii)	BDBM50389699 (CHEMBL2070066 | US10544104, Compound 47 | US112479...) Show SMILES CC(C)n1nc(-c2ccc3cc(OCc4cccc(Cl)c4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C25H22ClN5O/c1-15(2)31-25-22(24(27)28-14-29-25)23(30-31)19-7-6-18-12-21(9-8-17(18)11-19)32-13-16-4-3-5-20(26)10-16/h3-12,14-15H,13H2,1-2H3,(H2,27,28,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	BDBM50389693 (CHEMBL2070059 | US10544104, Compound 44 | US112479...) Show SMILES CC(C)COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N6O/c1-16(2)14-32-21-6-5-18-11-20(4-3-19(18)12-21)23-22-24(26)28-15-29-25(22)31(30-23)13-17-7-9-27-10-8-17/h3-6,11-12,15-17,27H,7-10,13-14H2,1-2H3,(H2,26,28,29)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	BDBM340899 (1-isopropyl-3-(4-methyl-1H-indol-2-yl)-1H- pyrazol...) Show SMILES CC(C)n1nc(-c2cc3c(C)cccc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C17H18N6/c1-9(2)23-17-14(16(18)19-8-20-17)15(22-23)13-7-11-10(3)5-4-6-12(11)21-13/h4-9,21H,1-3H3,(H2,18,19,20)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	BDBM340881 (3-isopropyl-1-(naphthalen-2-yl)imidazo[1,5- a]pyra...) Show SMILES CC(C)c1nc(-c2ccc3ccccc3c2)c2c(N)nccn12 Show InChI InChI=1S/C19H18N4/c1-12(2)19-22-16(17-18(20)21-9-10-23(17)19)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H2,20,21)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (Cryptosporidium parvum)	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)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					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	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair

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