Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50001304   

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
Choline kinase alpha (Homo sapiens (Human))	BDBM50342874 (1,1'-[4,4'-(Butane-1,4-diyl)bis(1,4-phenylene)]bis...) Show SMILES C[N+](C)=c1ccn(Cc2ccc(CCCCc3ccc(Cn4ccc(cc4)=[N+](C)C)cc3)cc2)cc1 |(16.16,-7.42,;16.14,-5.88,;17.47,-5.1,;14.79,-5.13,;13.47,-5.91,;12.13,-5.16,;12.12,-3.62,;10.78,-2.86,;9.45,-3.65,;9.46,-5.18,;8.14,-5.95,;6.81,-5.2,;5.48,-5.98,;4.15,-5.21,;2.82,-5.99,;1.48,-5.22,;.15,-6,;.15,-7.55,;-1.19,-8.32,;-2.52,-7.55,;-3.86,-8.32,;-5.19,-7.55,;-5.18,-6,;-6.52,-5.24,;-7.85,-6,;-7.84,-7.55,;-6.52,-8.32,;-9.18,-5.24,;-9.18,-3.7,;-10.52,-6,;-2.52,-6,;-1.19,-5.23,;6.79,-3.67,;8.1,-2.89,;13.43,-2.83,;14.77,-3.58,)| Show InChI InChI=1S/C32H40N4/c1-33(2)31-17-21-35(22-18-31)25-29-13-9-27(10-14-29)7-5-6-8-28-11-15-30(16-12-28)26-36-23-19-32(20-24-36)34(3)4/h9-24H,5-8,25-26H2,1-4H3/q+2	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	780	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of human choline kinase alpha1 using [methyl-14C]choline as substrate assessed as reduction in rate of incorporation of 14C from [methyl-1...				Bioorg Med Chem Lett 28: 2485-2489 (2018) Article DOI: 10.1016/j.bmcl.2018.05.060 BindingDB Entry DOI: 10.7270/Q20Z75RV
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50275672 (CHEMBL4128522) Show SMILES [Br-].[Br-].Clc1ccc2c(cc[n+](Cc3ccc(OCCOc4ccc(C[n+]5ccc(N6CCCC6)c6ccc(Cl)cc56)cc4)cc3)c2c1)N1CCCC1 Show InChI InChI=1S/C42H42Cl2N4O2/c43-33-9-15-37-39(45-19-1-2-20-45)17-23-47(41(37)27-33)29-31-5-11-35(12-6-31)49-25-26-50-36-13-7-32(8-14-36)30-48-24-18-40(46-21-3-4-22-46)38-16-10-34(44)28-42(38)48/h5-18,23-24,27-28H,1-4,19-22,25-26,29-30H2/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of human choline kinase alpha1 using [methyl-14C]choline as substrate assessed as reduction in rate of incorporation of 14C from [methyl-1...				Bioorg Med Chem Lett 28: 2485-2489 (2018) Article DOI: 10.1016/j.bmcl.2018.05.060 BindingDB Entry DOI: 10.7270/Q20Z75RV
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50275707 (CHEMBL4128899) Show SMILES [Br-].[Br-].CN(C)c1cc[n+](Cc2ccc(OCCOc3ccc(C[n+]4ccc(cc4)N(C)C)cc3)cc2)cc1 Show InChI InChI=1S/C30H36N4O2/c1-31(2)27-13-17-33(18-14-27)23-25-5-9-29(10-6-25)35-21-22-36-30-11-7-26(8-12-30)24-34-19-15-28(16-20-34)32(3)4/h5-20H,21-24H2,1-4H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of human choline kinase alpha1 using [methyl-14C]choline as substrate assessed as reduction in rate of incorporation of 14C from [methyl-1...				Bioorg Med Chem Lett 28: 2485-2489 (2018) Article DOI: 10.1016/j.bmcl.2018.05.060 BindingDB Entry DOI: 10.7270/Q20Z75RV
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50275705 (CHEMBL4129845) Show SMILES [Br-].[Br-].CN(c1ccc(Cl)cc1)c1cc[n+](Cc2ccc(OCCOc3ccc(C[n+]4ccc(cc4)N(C)c4ccc(Cl)cc4)cc3)cc2)cc1 Show InChI InChI=1S/C40H38Cl2N4O2/c1-43(35-11-7-33(41)8-12-35)37-19-23-45(24-20-37)29-31-3-15-39(16-4-31)47-27-28-48-40-17-5-32(6-18-40)30-46-25-21-38(22-26-46)44(2)36-13-9-34(42)10-14-36/h3-26H,27-30H2,1-2H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of human choline kinase alpha1 using [methyl-14C]choline as substrate assessed as reduction in rate of incorporation of 14C from [methyl-1...				Bioorg Med Chem Lett 28: 2485-2489 (2018) Article DOI: 10.1016/j.bmcl.2018.05.060 BindingDB Entry DOI: 10.7270/Q20Z75RV
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50275678 (CHEMBL4125997) Show SMILES [Br-].[Br-].C(COc1ccc(C[n+]2ccc(N3CCCCCC3)c3ccccc23)cc1)Oc1ccc(C[n+]2ccc(N3CCCCCC3)c3ccccc23)cc1 Show InChI InChI=1S/C46H52N4O2/c1-2-10-28-47(27-9-1)45-25-31-49(43-15-7-5-13-41(43)45)35-37-17-21-39(22-18-37)51-33-34-52-40-23-19-38(20-24-40)36-50-32-26-46(42-14-6-8-16-44(42)50)48-29-11-3-4-12-30-48/h5-8,13-26,31-32H,1-4,9-12,27-30,33-36H2/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of human choline kinase alpha1 using [methyl-14C]choline as substrate assessed as reduction in rate of incorporation of 14C from [methyl-1...				Bioorg Med Chem Lett 28: 2485-2489 (2018) Article DOI: 10.1016/j.bmcl.2018.05.060 BindingDB Entry DOI: 10.7270/Q20Z75RV
					More data for this Ligand-Target Pair
Choline kinase (Plasmodium falciparum (isolate 3D7))	BDBM50166172 (Bisquinolinium derivative | CHEMBL192986) Show SMILES C\[N+](c1ccc(Cl)cc1)=c1\ccn(Cc2ccc(cc2)-c2ccc(Cn3cc\c(=[N+](/C)c4ccc(Cl)cc4)c4ccccc34)cc2)c2ccccc12 Show InChI InChI=1S/C46H38Cl2N4/c1-49(39-23-19-37(47)20-24-39)43-27-29-51(45-9-5-3-7-41(43)45)31-33-11-15-35(16-12-33)36-17-13-34(14-18-36)32-52-30-28-44(42-8-4-6-10-46(42)52)50(2)40-25-21-38(48)22-26-40/h3-30H,31-32H2,1-2H3/q+2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum 3D7 choline kinase expressed in Escherichia coli BL21(DE3) assessed as reduction in phosphocholine formation				Bioorg Med Chem Lett 28: 2485-2489 (2018) Article DOI: 10.1016/j.bmcl.2018.05.060 BindingDB Entry DOI: 10.7270/Q20Z75RV
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50166172 (Bisquinolinium derivative | CHEMBL192986) Show SMILES C\[N+](c1ccc(Cl)cc1)=c1\ccn(Cc2ccc(cc2)-c2ccc(Cn3cc\c(=[N+](/C)c4ccc(Cl)cc4)c4ccccc34)cc2)c2ccccc12 Show InChI InChI=1S/C46H38Cl2N4/c1-49(39-23-19-37(47)20-24-39)43-27-29-51(45-9-5-3-7-41(43)45)31-33-11-15-35(16-12-33)36-17-13-34(14-18-36)32-52-30-28-44(42-8-4-6-10-46(42)52)50(2)40-25-21-38(48)22-26-40/h3-30H,31-32H2,1-2H3/q+2	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	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of human choline kinase alpha1 using [methyl-14C]choline as substrate assessed as reduction in rate of incorporation of 14C from [methyl-1...				Bioorg Med Chem Lett 28: 2485-2489 (2018) Article DOI: 10.1016/j.bmcl.2018.05.060 BindingDB Entry DOI: 10.7270/Q20Z75RV
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50275673 (CHEMBL4129777) Show SMILES [Br-].[Br-].Clc1ccc2c(cc[n+](Cc3ccc(OCCOc4ccc(C[n+]5ccc(N6CCCCCC6)c6ccc(Cl)cc56)cc4)cc3)c2c1)N1CCCCCC1 Show InChI InChI=1S/C46H50Cl2N4O2/c47-37-13-19-41-43(49-23-5-1-2-6-24-49)21-27-51(45(41)31-37)33-35-9-15-39(16-10-35)53-29-30-54-40-17-11-36(12-18-40)34-52-28-22-44(50-25-7-3-4-8-26-50)42-20-14-38(48)32-46(42)52/h9-22,27-28,31-32H,1-8,23-26,29-30,33-34H2/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of human choline kinase alpha1 using [methyl-14C]choline as substrate assessed as reduction in rate of incorporation of 14C from [methyl-1...				Bioorg Med Chem Lett 28: 2485-2489 (2018) Article DOI: 10.1016/j.bmcl.2018.05.060 BindingDB Entry DOI: 10.7270/Q20Z75RV
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50275679 (CHEMBL4126001) Show SMILES [Br-].[Br-].CN(c1ccccc1)c1cc[n+](Cc2ccc(OCCOc3ccc(C[n+]4ccc(N(C)c5ccccc5)c5ccc(Cl)cc45)cc3)cc2)c2cc(Cl)ccc12 Show InChI InChI=1S/C48H42Cl2N4O2/c1-51(39-9-5-3-6-10-39)45-25-27-53(47-31-37(49)17-23-43(45)47)33-35-13-19-41(20-14-35)55-29-30-56-42-21-15-36(16-22-42)34-54-28-26-46(44-24-18-38(50)32-48(44)54)52(2)40-11-7-4-8-12-40/h3-28,31-32H,29-30,33-34H2,1-2H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of human choline kinase alpha1 using [methyl-14C]choline as substrate assessed as reduction in rate of incorporation of 14C from [methyl-1...				Bioorg Med Chem Lett 28: 2485-2489 (2018) Article DOI: 10.1016/j.bmcl.2018.05.060 BindingDB Entry DOI: 10.7270/Q20Z75RV
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50275680 (CHEMBL4127381) Show SMILES [Br-].[Br-].CN(c1ccc(Cl)cc1)c1cc[n+](Cc2ccc(OCCOc3ccc(C[n+]4ccc(N(C)c5ccc(Cl)cc5)c5ccccc45)cc3)cc2)c2ccccc12 Show InChI InChI=1S/C48H42Cl2N4O2/c1-51(39-19-15-37(49)16-20-39)45-27-29-53(47-9-5-3-7-43(45)47)33-35-11-23-41(24-12-35)55-31-32-56-42-25-13-36(14-26-42)34-54-30-28-46(44-8-4-6-10-48(44)54)52(2)40-21-17-38(50)18-22-40/h3-30H,31-34H2,1-2H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of human choline kinase alpha1 using [methyl-14C]choline as substrate assessed as reduction in rate of incorporation of 14C from [methyl-1...				Bioorg Med Chem Lett 28: 2485-2489 (2018) Article DOI: 10.1016/j.bmcl.2018.05.060 BindingDB Entry DOI: 10.7270/Q20Z75RV
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50275703 (CHEMBL4126529) Show SMILES [Br-].[Br-].CN(c1ccccc1)c1cc[n+](Cc2ccc(OCCOc3ccc(C[n+]4ccc(N(C)c5ccccc5)c5ccccc45)cc3)cc2)c2ccccc12 Show InChI InChI=1S/C48H44N4O2/c1-49(39-13-5-3-6-14-39)45-29-31-51(47-19-11-9-17-43(45)47)35-37-21-25-41(26-22-37)53-33-34-54-42-27-23-38(24-28-42)36-52-32-30-46(44-18-10-12-20-48(44)52)50(2)40-15-7-4-8-16-40/h3-32H,33-36H2,1-2H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of human choline kinase alpha1 using [methyl-14C]choline as substrate assessed as reduction in rate of incorporation of 14C from [methyl-1...				Bioorg Med Chem Lett 28: 2485-2489 (2018) Article DOI: 10.1016/j.bmcl.2018.05.060 BindingDB Entry DOI: 10.7270/Q20Z75RV
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50275671 (CHEMBL4126415) Show SMILES OC1C[N+]2(Cc3ccc(OCCOc4ccc(C[N+]56CCC(CC5)C(O)C6)cc4)cc3)CCC1CC2 Show InChI InChI=1S/C30H42N2O4.2BrH/c33-29-21-31(13-9-25(29)10-14-31)19-23-1-5-27(6-2-23)35-17-18-36-28-7-3-24(4-8-28)20-32-15-11-26(12-16-32)30(34)22-32;;/h1-8,25-26,29-30,33-34H,9-22H2;2*1H/q+2;;/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of human choline kinase alpha1 using [methyl-14C]choline as substrate assessed as reduction in rate of incorporation of 14C from [methyl-1...				Bioorg Med Chem Lett 28: 2485-2489 (2018) Article DOI: 10.1016/j.bmcl.2018.05.060 BindingDB Entry DOI: 10.7270/Q20Z75RV
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50275706 (CHEMBL4127500) Show SMILES [Br-].[Br-].C(COc1ccc(C[n+]2ccc(cc2)N2CCCC2)cc1)Oc1ccc(C[n+]2ccc(cc2)N2CCCC2)cc1 Show InChI InChI=1S/C34H40N4O2/c1-2-18-37(17-1)31-13-21-35(22-14-31)27-29-5-9-33(10-6-29)39-25-26-40-34-11-7-30(8-12-34)28-36-23-15-32(16-24-36)38-19-3-4-20-38/h5-16,21-24H,1-4,17-20,25-28H2/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of human choline kinase alpha1 using [methyl-14C]choline as substrate assessed as reduction in rate of incorporation of 14C from [methyl-1...				Bioorg Med Chem Lett 28: 2485-2489 (2018) Article DOI: 10.1016/j.bmcl.2018.05.060 BindingDB Entry DOI: 10.7270/Q20Z75RV
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50275670 (CHEMBL4127055) Show SMILES [Br-].[Br-].CN(c1ccc(Cl)cc1)c1cc[n+](Cc2ccc(OCCOc3ccc(C[n+]4ccc(N(C)c5ccc(Cl)cc5)c5ccc(Cl)cc45)cc3)cc2)c2cc(Cl)ccc12 Show InChI InChI=1S/C48H40Cl4N4O2/c1-53(39-13-7-35(49)8-14-39)45-23-25-55(47-29-37(51)11-21-43(45)47)31-33-3-17-41(18-4-33)57-27-28-58-42-19-5-34(6-20-42)32-56-26-24-46(44-22-12-38(52)30-48(44)56)54(2)40-15-9-36(50)10-16-40/h3-26,29-30H,27-28,31-32H2,1-2H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of human choline kinase alpha1 using [methyl-14C]choline as substrate assessed as reduction in rate of incorporation of 14C from [methyl-1...				Bioorg Med Chem Lett 28: 2485-2489 (2018) Article DOI: 10.1016/j.bmcl.2018.05.060 BindingDB Entry DOI: 10.7270/Q20Z75RV
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50275704 (CHEMBL4128482) Show SMILES [Br-].[Br-].C(COc1ccc(C[N+]23CCC(CC2)CC3)cc1)Oc1ccc(C[N+]23CCC(CC2)CC3)cc1 Show InChI InChI=1S/C30H42N2O2/c1-5-29(6-2-27(1)23-31-15-9-25(10-16-31)11-17-31)33-21-22-34-30-7-3-28(4-8-30)24-32-18-12-26(13-19-32)14-20-32/h1-8,25-26H,9-24H2/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of human choline kinase alpha1 using [methyl-14C]choline as substrate assessed as reduction in rate of incorporation of 14C from [methyl-1...				Bioorg Med Chem Lett 28: 2485-2489 (2018) Article DOI: 10.1016/j.bmcl.2018.05.060 BindingDB Entry DOI: 10.7270/Q20Z75RV
					More data for this Ligand-Target Pair
Choline kinase (Plasmodium falciparum (isolate 3D7))	BDBM50342874 (1,1'-[4,4'-(Butane-1,4-diyl)bis(1,4-phenylene)]bis...) Show SMILES C[N+](C)=c1ccn(Cc2ccc(CCCCc3ccc(Cn4ccc(cc4)=[N+](C)C)cc3)cc2)cc1 |(16.16,-7.42,;16.14,-5.88,;17.47,-5.1,;14.79,-5.13,;13.47,-5.91,;12.13,-5.16,;12.12,-3.62,;10.78,-2.86,;9.45,-3.65,;9.46,-5.18,;8.14,-5.95,;6.81,-5.2,;5.48,-5.98,;4.15,-5.21,;2.82,-5.99,;1.48,-5.22,;.15,-6,;.15,-7.55,;-1.19,-8.32,;-2.52,-7.55,;-3.86,-8.32,;-5.19,-7.55,;-5.18,-6,;-6.52,-5.24,;-7.85,-6,;-7.84,-7.55,;-6.52,-8.32,;-9.18,-5.24,;-9.18,-3.7,;-10.52,-6,;-2.52,-6,;-1.19,-5.23,;6.79,-3.67,;8.1,-2.89,;13.43,-2.83,;14.77,-3.58,)| Show InChI InChI=1S/C32H40N4/c1-33(2)31-17-21-35(22-18-31)25-29-13-9-27(10-14-29)7-5-6-8-28-11-15-30(16-12-28)26-36-23-19-32(20-24-36)34(3)4/h9-24H,5-8,25-26H2,1-4H3/q+2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum 3D7 choline kinase expressed in Escherichia coli BL21(DE3) assessed as reduction in phosphocholine formation				Bioorg Med Chem Lett 28: 2485-2489 (2018) Article DOI: 10.1016/j.bmcl.2018.05.060 BindingDB Entry DOI: 10.7270/Q20Z75RV
					More data for this Ligand-Target Pair
Choline kinase (Plasmodium falciparum (isolate 3D7))	BDBM85206 (CAS_312-45-8 | Hemicholinium-3 | NSC_9399) Show SMILES C[N+]1(C)CCOC(O)(C1)c1ccc(cc1)-c1ccc(cc1)C1(O)C[N+](C)(C)CCO1 Show InChI InChI=1S/C24H34N2O4/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24/h5-12,27-28H,13-18H2,1-4H3/q+2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum 3D7 choline kinase expressed in Escherichia coli BL21(DE3) assessed as reduction in phosphocholine formation				Bioorg Med Chem Lett 28: 2485-2489 (2018) Article DOI: 10.1016/j.bmcl.2018.05.060 BindingDB Entry DOI: 10.7270/Q20Z75RV
					More data for this Ligand-Target Pair