Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Calcium-dependent protein kinase 4'   

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 4 (Plasmodium falciparum (isolate 3D7))	BDBM79181 (10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...) Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum His-tagged CDPK4 expressed in Escherichia coli BL21(DE3) using EGTA as substrate after 10 mins in presence of ATP				J Med Chem 61: 8061-8077 (2018) Article DOI: 10.1021/acs.jmedchem.8b00329 BindingDB Entry DOI: 10.7270/Q24170NC
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 4 (Plasmodium falciparum (isolate 3D7))	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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Montclair State University Curated by ChEMBL					Assay Description Inhibition of CDPK4 in Plasmodium falciparum 3D7 microgametes				Bioorg Med Chem Lett 22: 6788-93 (2012) Article DOI: 10.1016/j.bmcl.2012.09.044 BindingDB Entry DOI: 10.7270/Q26H4JJZ
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 4 (Plasmodium falciparum (isolate 3D7))	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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum CDPK4 using syntide-2 as substrate by luminescence assay				J Med Chem 61: 8061-8077 (2018) Article DOI: 10.1021/acs.jmedchem.8b00329 BindingDB Entry DOI: 10.7270/Q24170NC
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 4 (Plasmodium falciparum (isolate 3D7))	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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum CDPK4 using syntide-2 as substrate by luminescence assay				J Med Chem 61: 8061-8077 (2018) Article DOI: 10.1021/acs.jmedchem.8b00329 BindingDB Entry DOI: 10.7270/Q24170NC
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 4 (Plasmodium falciparum (isolate 3D7))	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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	177	n/a	n/a	n/a	n/a	n/a	n/a
Montclair State University Curated by ChEMBL					Assay Description Inhibition of CDPK4 in Plasmodium falciparum 3D7 microgametes				Bioorg Med Chem Lett 22: 6788-93 (2012) Article DOI: 10.1016/j.bmcl.2012.09.044 BindingDB Entry DOI: 10.7270/Q26H4JJZ
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 4 (Plasmodium falciparum (isolate 3D7))	BDBM50530659 (CHEMBL4461850) Show SMILES Fc1ccc(cc1)-c1nc(sc1-c1ccnc(NCCN2CCSCC2)n1)C1CCNCC1 Show InChI InChI=1S/C24H29FN6S2/c25-19-3-1-17(2-4-19)21-22(33-23(30-21)18-5-8-26-9-6-18)20-7-10-27-24(29-20)28-11-12-31-13-15-32-16-14-31/h1-4,7,10,18,26H,5-6,8-9,11-16H2,(H,27,28,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to CDPK4 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr in presence of ATP-competitive kinase inhibitor by kino...				J Med Chem 62: 9217-9235 (2019) Article DOI: 10.1021/acs.jmedchem.9b01099 BindingDB Entry DOI: 10.7270/Q2X63RDP
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 4 (Plasmodium falciparum (isolate 3D7))	BDBM50530637 (CHEMBL4591417) Show SMILES Cc1cc(Nc2nccc(n2)-c2sc(nc2-c2ccc(F)cc2)C2CCNCC2)ccn1 Show InChI InChI=1S/C24H23FN6S/c1-15-14-19(8-12-27-15)29-24-28-13-9-20(30-24)22-21(16-2-4-18(25)5-3-16)31-23(32-22)17-6-10-26-11-7-17/h2-5,8-9,12-14,17,26H,6-7,10-11H2,1H3,(H,27,28,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to CDPK4 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr by kinobeads based pull down assay				J Med Chem 62: 9217-9235 (2019) Article DOI: 10.1021/acs.jmedchem.9b01099 BindingDB Entry DOI: 10.7270/Q2X63RDP
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 4 (Plasmodium falciparum (isolate 3D7))	BDBM50530659 (CHEMBL4461850) Show SMILES Fc1ccc(cc1)-c1nc(sc1-c1ccnc(NCCN2CCSCC2)n1)C1CCNCC1 Show InChI InChI=1S/C24H29FN6S2/c25-19-3-1-17(2-4-19)21-22(33-23(30-21)18-5-8-26-9-6-18)20-7-10-27-24(29-20)28-11-12-31-13-15-32-16-14-31/h1-4,7,10,18,26H,5-6,8-9,11-16H2,(H,27,28,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to CDPK4 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr by kinobeads based pull down assay				J Med Chem 62: 9217-9235 (2019) Article DOI: 10.1021/acs.jmedchem.9b01099 BindingDB Entry DOI: 10.7270/Q2X63RDP
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 4 (Plasmodium falciparum (isolate 3D7))	BDBM50530659 (CHEMBL4461850) Show SMILES Fc1ccc(cc1)-c1nc(sc1-c1ccnc(NCCN2CCSCC2)n1)C1CCNCC1 Show InChI InChI=1S/C24H29FN6S2/c25-19-3-1-17(2-4-19)21-22(33-23(30-21)18-5-8-26-9-6-18)20-7-10-27-24(29-20)28-11-12-31-13-15-32-16-14-31/h1-4,7,10,18,26H,5-6,8-9,11-16H2,(H,27,28,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to CDPK4 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr in presence of ATP-competitive kinase inhibitor by kino...				J Med Chem 62: 9217-9235 (2019) Article DOI: 10.1021/acs.jmedchem.9b01099 BindingDB Entry DOI: 10.7270/Q2X63RDP
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 4 (Plasmodium falciparum (isolate 3D7))	BDBM50530637 (CHEMBL4591417) Show SMILES Cc1cc(Nc2nccc(n2)-c2sc(nc2-c2ccc(F)cc2)C2CCNCC2)ccn1 Show InChI InChI=1S/C24H23FN6S/c1-15-14-19(8-12-27-15)29-24-28-13-9-20(30-24)22-21(16-2-4-18(25)5-3-16)31-23(32-22)17-6-10-26-11-7-17/h2-5,8-9,12-14,17,26H,6-7,10-11H2,1H3,(H,27,28,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to CDPK4 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr in presence of ATP-competitive kinase inhibitor by kino...				J Med Chem 62: 9217-9235 (2019) Article DOI: 10.1021/acs.jmedchem.9b01099 BindingDB Entry DOI: 10.7270/Q2X63RDP
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 4 (Plasmodium falciparum (isolate 3D7))	BDBM50530659 (CHEMBL4461850) Show SMILES Fc1ccc(cc1)-c1nc(sc1-c1ccnc(NCCN2CCSCC2)n1)C1CCNCC1 Show InChI InChI=1S/C24H29FN6S2/c25-19-3-1-17(2-4-19)21-22(33-23(30-21)18-5-8-26-9-6-18)20-7-10-27-24(29-20)28-11-12-31-13-15-32-16-14-31/h1-4,7,10,18,26H,5-6,8-9,11-16H2,(H,27,28,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to CDPK4 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr by kinobeads based pull down assay				J Med Chem 62: 9217-9235 (2019) Article DOI: 10.1021/acs.jmedchem.9b01099 BindingDB Entry DOI: 10.7270/Q2X63RDP
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 4 (Plasmodium falciparum (isolate 3D7))	BDBM50530637 (CHEMBL4591417) Show SMILES Cc1cc(Nc2nccc(n2)-c2sc(nc2-c2ccc(F)cc2)C2CCNCC2)ccn1 Show InChI InChI=1S/C24H23FN6S/c1-15-14-19(8-12-27-15)29-24-28-13-9-20(30-24)22-21(16-2-4-18(25)5-3-16)31-23(32-22)17-6-10-26-11-7-17/h2-5,8-9,12-14,17,26H,6-7,10-11H2,1H3,(H,27,28,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to CDPK4 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr in presence of ATP-competitive kinase inhibitor by kino...				J Med Chem 62: 9217-9235 (2019) Article DOI: 10.1021/acs.jmedchem.9b01099 BindingDB Entry DOI: 10.7270/Q2X63RDP
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 4 (Plasmodium falciparum (isolate 3D7))	BDBM50530637 (CHEMBL4591417) Show SMILES Cc1cc(Nc2nccc(n2)-c2sc(nc2-c2ccc(F)cc2)C2CCNCC2)ccn1 Show InChI InChI=1S/C24H23FN6S/c1-15-14-19(8-12-27-15)29-24-28-13-9-20(30-24)22-21(16-2-4-18(25)5-3-16)31-23(32-22)17-6-10-26-11-7-17/h2-5,8-9,12-14,17,26H,6-7,10-11H2,1H3,(H,27,28,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to CDPK4 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr by kinobeads based pull down assay				J Med Chem 62: 9217-9235 (2019) Article DOI: 10.1021/acs.jmedchem.9b01099 BindingDB Entry DOI: 10.7270/Q2X63RDP
					More data for this Ligand-Target Pair