Compile Data Set for Download or QSAR

Found 195 hits with Last Name = 'rottmann' and Initial = 'm'   

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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18793 (6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]...) Show SMILES CC1(C)N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl |t:3,6| Show InChI InChI=1S/C14H18Cl3N5O2/c1-14(2)21-12(18)20-13(19)22(14)24-5-3-4-23-11-7-9(16)8(15)6-10(11)17/h6-7H,3-5H2,1-2H3,(H4,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kenya Medical Research Institute/Wellcome Trust Collaborative Research Program Curated by ChEMBL					Assay Description Binding affinity to human recombinant DHFR expressed in Escherichia coli BL21(DE3) by competitive binding assay				Antimicrob Agents Chemother 54: 2603-10 (2010) Article DOI: 10.1128/AAC.01526-09 BindingDB Entry DOI: 10.7270/Q2VX0GQW
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50035483 (5-Chloro-N*6*-(2,5-dimethoxy-benzyl)-quinazoline-2...) Show SMILES COc1ccc(OC)c(CNc2ccc3nc(N)nc(N)c3c2Cl)c1 Show InChI InChI=1S/C17H18ClN5O2/c1-24-10-3-6-13(25-2)9(7-10)8-21-12-5-4-11-14(15(12)18)16(19)23-17(20)22-11/h3-7,21H,8H2,1-2H3,(H4,19,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	10.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kenya Medical Research Institute/Wellcome Trust Collaborative Research Program Curated by ChEMBL					Assay Description Binding affinity to human recombinant DHFR expressed in Escherichia coli BL21(DE3) by competitive binding assay				Antimicrob Agents Chemother 54: 2603-10 (2010) Article DOI: 10.1128/AAC.01526-09 BindingDB Entry DOI: 10.7270/Q2VX0GQW
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	30.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kenya Medical Research Institute/Wellcome Trust Collaborative Research Program Curated by ChEMBL					Assay Description Binding affinity to human recombinant DHFR expressed in Escherichia coli BL21(DE3) by competitive binding assay				Antimicrob Agents Chemother 54: 2603-10 (2010) Article DOI: 10.1128/AAC.01526-09 BindingDB Entry DOI: 10.7270/Q2VX0GQW
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18792 (1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:3,6| Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	55.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kenya Medical Research Institute/Wellcome Trust Collaborative Research Program Curated by ChEMBL					Assay Description Binding affinity to human recombinant DHFR expressed in Escherichia coli BL21(DE3) by competitive binding assay				Antimicrob Agents Chemother 54: 2603-10 (2010) Article DOI: 10.1128/AAC.01526-09 BindingDB Entry DOI: 10.7270/Q2VX0GQW
					More data for this Ligand-Target Pair
Plasmepsin X (Plasmodium falciparum (isolate 3D7))	BDBM50591320 (CHEMBL5190700) Show SMILES C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(NC(=O)c2cccc(c2)C#N)c1Cl |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16
					More data for this Ligand-Target Pair
Plasmepsin X (Plasmodium falciparum (isolate 3D7))	BDBM50591320 (CHEMBL5190700) Show SMILES C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(NC(=O)c2cccc(c2)C#N)c1Cl |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16
					More data for this Ligand-Target Pair
Plasmepsin X (Plasmodium falciparum (isolate 3D7))	BDBM50591317 (CHEMBL5191783) Show SMILES C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16
					More data for this Ligand-Target Pair
Plasmepsin X (Plasmodium falciparum (isolate 3D7))	BDBM50591318 (CHEMBL5204196) Show SMILES C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2cnc(nc2)C2CC2)c1Cl |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239647 (CHEMBL4092595) Show SMILES [2H]C([2H])([2H])c1[nH]nc2OC(N)=C(C#N)C(C(C)C)(c12)c1cc(cc(c1)C(F)(F)F)-c1ccc(s1)S(=O)(=O)N(C)C |t:10| Show InChI InChI=1S/C24H24F3N5O3S2/c1-12(2)23(17(11-28)21(29)35-22-20(23)13(3)30-31-22)15-8-14(9-16(10-15)24(25,26)27)18-6-7-19(36-18)37(33,34)32(4)5/h6-10,12H,29H2,1-5H3,(H,30,31)/i3D3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Plasmepsin X (Plasmodium falciparum (isolate 3D7))	BDBM50591315 (CHEMBL5172999) Show SMILES C[C@]1(CC(=O)N(C2CCOCC2)C(=N)N1)c1cccc(Nc2ccccc2)c1Cl |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239671 (CHEMBL4063186) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1ccc(s1)S(=O)(=O)N(C)C |c:13| Show InChI InChI=1S/C24H24F3N5O3S2/c1-12(2)23(17(11-28)21(29)35-22-20(23)13(3)30-31-22)15-8-14(9-16(10-15)24(25,26)27)18-6-7-19(36-18)37(33,34)32(4)5/h6-10,12H,29H2,1-5H3,(H,30,31)	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
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239672 (CHEMBL4093534) Show SMILES CC(C)C1(c2c[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1ccc(s1)S(=O)(=O)N(C)C |c:12| Show InChI InChI=1S/C23H22F3N5O3S2/c1-12(2)22(16(10-27)20(28)34-21-17(22)11-29-30-21)14-7-13(8-15(9-14)23(24,25)26)18-5-6-19(35-18)36(32,33)31(3)4/h5-9,11-12H,28H2,1-4H3,(H,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Plasmepsin X (Plasmodium falciparum (isolate 3D7))	BDBM50591319 (CHEMBL5204856) Show SMILES C[C@]1(CC(=O)N(C2CCOCC2)C(=N)N1)c1cccc(NC(=O)c2ccccc2)c1Cl |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16
					More data for this Ligand-Target Pair
Plasmepsin X (Plasmodium falciparum (isolate 3D7))	BDBM50591316 (CHEMBL5208335) Show SMILES C[C@]1(CC(=O)N(C2CCOCC2)C(=N)N1)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239667 (CHEMBL4066725) Show SMILES COCc1ccc(s1)-c1cc(cc(c1)C1(C(C)C)c2c(C)[nH]nc2OC(N)=C1C#N)C#N |c:29| Show InChI InChI=1S/C24H23N5O2S/c1-13(2)24(19(11-26)22(27)31-23-21(24)14(3)28-29-23)17-8-15(10-25)7-16(9-17)20-6-5-18(32-20)12-30-4/h5-9,13H,12,27H2,1-4H3,(H,28,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239656 (CHEMBL4103145) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(F)cc(c1)-c1cccc(c1)C(O)=O |c:13| Show InChI InChI=1S/C24H21FN4O3/c1-12(2)24(19(11-26)21(27)32-22-20(24)13(3)28-29-22)17-8-16(9-18(25)10-17)14-5-4-6-15(7-14)23(30)31/h4-10,12H,27H2,1-3H3,(H,28,29)(H,30,31)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50591315 (CHEMBL5172999) Show SMILES C[C@]1(CC(=O)N(C2CCOCC2)C(=N)N1)c1cccc(Nc2ccccc2)c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239663 (CHEMBL4061729) Show SMILES COC(=O)c1ccc(s1)-c1cc(cc(c1)[C@]1(C=C(N)Oc2n[nH]c(C)c12)C(C)C)C#N |r,t:18| Show InChI InChI=1S/C23H22N4O3S/c1-12(2)23(10-19(25)30-21-20(23)13(3)26-27-21)16-8-14(11-24)7-15(9-16)17-5-6-18(31-17)22(28)29-4/h5-10,12H,25H2,1-4H3,(H,26,27)/t23-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239641 (CHEMBL4085568) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)-c1cccc2ccsc12)C#N |c:13| Show InChI InChI=1S/C26H21N5OS/c1-14(2)26(21(13-28)24(29)32-25-22(26)15(3)30-31-25)19-10-16(12-27)9-18(11-19)20-6-4-5-17-7-8-33-23(17)20/h4-11,14H,29H2,1-3H3,(H,30,31)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50591317 (CHEMBL5191783) Show SMILES C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239657 (CHEMBL4074964) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(F)cc(c1)N1CCC(CC1)C(O)=O |c:13| Show InChI InChI=1S/C23H26FN5O3/c1-12(2)23(18(11-25)20(26)32-21-19(23)13(3)27-28-21)15-8-16(24)10-17(9-15)29-6-4-14(5-7-29)22(30)31/h8-10,12,14H,4-7,26H2,1-3H3,(H,27,28)(H,30,31)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239654 (CHEMBL4104071) Show SMILES COc1ccc(cc1C(O)=O)-c1cc(cc(c1)C1(C(C)C)c2c(C)[nH]nc2OC(N)=C1C#N)C(F)(F)F |c:32| Show InChI InChI=1S/C26H23F3N4O4/c1-12(2)25(19(11-30)22(31)37-23-21(25)13(3)32-33-23)16-7-15(8-17(10-16)26(27,28)29)14-5-6-20(36-4)18(9-14)24(34)35/h5-10,12H,31H2,1-4H3,(H,32,33)(H,34,35)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239676 (CHEMBL4078219) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(F)cc(c1)-c1cccc(CCC(O)=O)c1 |c:13| Show InChI InChI=1S/C26H25FN4O3/c1-14(2)26(21(13-28)24(29)34-25-23(26)15(3)30-31-25)19-10-18(11-20(27)12-19)17-6-4-5-16(9-17)7-8-22(32)33/h4-6,9-12,14H,7-8,29H2,1-3H3,(H,30,31)(H,32,33)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239661 (CHEMBL4102497) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(F)cc(c1)N1CCC(CC(O)=O)CC1 |c:13| Show InChI InChI=1S/C24H28FN5O3/c1-13(2)24(19(12-26)22(27)33-23-21(24)14(3)28-29-23)16-9-17(25)11-18(10-16)30-6-4-15(5-7-30)8-20(31)32/h9-11,13,15H,4-8,27H2,1-3H3,(H,28,29)(H,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239640 (CHEMBL4064002) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)-c1ccc(s1)S(=O)(=O)N(C)C)C#N |c:13| Show InChI InChI=1S/C24H24N6O3S2/c1-13(2)24(18(12-26)22(27)33-23-21(24)14(3)28-29-23)17-9-15(11-25)8-16(10-17)19-6-7-20(34-19)35(31,32)30(4)5/h6-10,13H,27H2,1-5H3,(H,28,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239664 (CHEMBL4088892) Show SMILES CC(C)[C@]1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(F)cc(c1)N1CCC(CC(O)=O)CC1 |r,c:13| Show InChI InChI=1S/C24H28FN5O3/c1-13(2)24(19(12-26)22(27)33-23-21(24)14(3)28-29-23)16-9-17(25)11-18(10-16)30-6-4-15(5-7-30)8-20(31)32/h9-11,13,15H,4-8,27H2,1-3H3,(H,28,29)(H,31,32)/t24-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239653 (CHEMBL4087703) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1cncc(c1)C(O)=O |c:13| Show InChI InChI=1S/C24H20F3N5O3/c1-11(2)23(18(8-28)20(29)35-21-19(23)12(3)31-32-21)16-5-13(6-17(7-16)24(25,26)27)14-4-15(22(33)34)10-30-9-14/h4-7,9-11H,29H2,1-3H3,(H,31,32)(H,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Evaluated for the inhibition of adenylate cyclase at M2 receptor in rat heart				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239662 (CHEMBL4101602) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(F)cc(c1)N1CCC(CCC(O)=O)CC1 |c:13| Show InChI InChI=1S/C25H30FN5O3/c1-14(2)25(20(13-27)23(28)34-24-22(25)15(3)29-30-24)17-10-18(26)12-19(11-17)31-8-6-16(7-9-31)4-5-21(32)33/h10-12,14,16H,4-9,28H2,1-3H3,(H,29,30)(H,32,33)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239679 (CHEMBL4093312) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)-c1ccc(s1)-c1nc(C)no1)C#N |c:13| Show InChI InChI=1S/C25H21N7O2S/c1-12(2)25(18(11-27)22(28)33-24-21(25)13(3)30-31-24)17-8-15(10-26)7-16(9-17)19-5-6-20(35-19)23-29-14(4)32-34-23/h5-9,12H,28H2,1-4H3,(H,30,31)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Plasmepsin IX (Plasmodium falciparum (isolate 3D7))	BDBM50591320 (CHEMBL5190700) Show SMILES C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(NC(=O)c2cccc(c2)C#N)c1Cl |r| Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16
					More data for this Ligand-Target Pair
Plasmepsin IX (Plasmodium falciparum (isolate 3D7))	BDBM50591320 (CHEMBL5190700) Show SMILES C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(NC(=O)c2cccc(c2)C#N)c1Cl |r| Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239658 (CHEMBL4100679) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1cccc(CCC(O)=O)c1 |c:13| Show InChI InChI=1S/C27H25F3N4O3/c1-14(2)26(21(13-31)24(32)37-25-23(26)15(3)33-34-25)19-10-18(11-20(12-19)27(28,29)30)17-6-4-5-16(9-17)7-8-22(35)36/h4-6,9-12,14H,7-8,32H2,1-3H3,(H,33,34)(H,35,36)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239659 (CHEMBL4086113) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)N1CCC(CCC(O)=O)CC1 |c:13| Show InChI InChI=1S/C26H30F3N5O3/c1-14(2)25(20(13-30)23(31)37-24-22(25)15(3)32-33-24)17-10-18(26(27,28)29)12-19(11-17)34-8-6-16(7-9-34)4-5-21(35)36/h10-12,14,16H,4-9,31H2,1-3H3,(H,32,33)(H,35,36)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239660 (CHEMBL4064601) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(F)cc(c1)-c1cccc(CC(O)=O)c1 |c:13| Show InChI InChI=1S/C25H23FN4O3/c1-13(2)25(20(12-27)23(28)33-24-22(25)14(3)29-30-24)18-9-17(10-19(26)11-18)16-6-4-5-15(7-16)8-21(31)32/h4-7,9-11,13H,8,28H2,1-3H3,(H,29,30)(H,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239648 (CHEMBL4071810) Show SMILES CCc1[nH]nc2OC(N)=C(C#N)C(C(C)C)(c12)c1cc(cc(c1)C(F)(F)F)-c1ccc(s1)S(=O)(=O)N(C)C |t:8| Show InChI InChI=1S/C25H26F3N5O3S2/c1-6-18-21-23(32-31-18)36-22(30)17(12-29)24(21,13(2)3)15-9-14(10-16(11-15)25(26,27)28)19-7-8-20(37-19)38(34,35)33(4)5/h7-11,13H,6,30H2,1-5H3,(H,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50591317 (CHEMBL5191783) Show SMILES C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239675 (CHEMBL4095396) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1cccc(CC(O)=O)c1 |c:13| Show InChI InChI=1S/C26H23F3N4O3/c1-13(2)25(20(12-30)23(31)36-24-22(25)14(3)32-33-24)18-9-17(10-19(11-18)26(27,28)29)16-6-4-5-15(7-16)8-21(34)35/h4-7,9-11,13H,8,31H2,1-3H3,(H,32,33)(H,34,35)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239638 (CHEMBL4073903) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)N1CCC(CC(O)=O)CC1 |c:13| Show InChI InChI=1S/C25H28F3N5O3/c1-13(2)24(19(12-29)22(30)36-23-21(24)14(3)31-32-23)16-9-17(25(26,27)28)11-18(10-16)33-6-4-15(5-7-33)8-20(34)35/h9-11,13,15H,4-8,30H2,1-3H3,(H,31,32)(H,34,35)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor M2 by displacement of [3H]QNB in rat myocardium				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239673 (CHEMBL4066357) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1cccc(c1)C(O)=O |c:13| Show InChI InChI=1S/C25H21F3N4O3/c1-12(2)24(19(11-29)21(30)35-22-20(24)13(3)31-32-22)17-8-16(9-18(10-17)25(26,27)28)14-5-4-6-15(7-14)23(33)34/h4-10,12H,30H2,1-3H3,(H,31,32)(H,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239668 (CHEMBL4072596) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)-c1ccc(Cl)s1)C#N |c:13| Show InChI InChI=1S/C22H18ClN5OS/c1-11(2)22(16(10-25)20(26)29-21-19(22)12(3)27-28-21)15-7-13(9-24)6-14(8-15)17-4-5-18(23)30-17/h4-8,11H,26H2,1-3H3,(H,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	202	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50591318 (CHEMBL5204196) Show SMILES C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2cnc(nc2)C2CC2)c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239652 (CHEMBL4102165) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)-c1cccc(c1)C(O)=O)C#N |c:13| Show InChI InChI=1S/C25H21N5O3/c1-13(2)25(20(12-27)22(28)33-23-21(25)14(3)29-30-23)19-8-15(11-26)7-18(10-19)16-5-4-6-17(9-16)24(31)32/h4-10,13H,28H2,1-3H3,(H,29,30)(H,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239643 (CHEMBL4100331) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1ccc(Cl)s1 |c:13| Show InChI InChI=1S/C22H18ClF3N4OS/c1-10(2)21(15(9-27)19(28)31-20-18(21)11(3)29-30-20)13-6-12(16-4-5-17(23)32-16)7-14(8-13)22(24,25)26/h4-8,10H,28H2,1-3H3,(H,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Plasmepsin IX (Plasmodium falciparum (isolate 3D7))	BDBM50591317 (CHEMBL5191783) Show SMILES C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r| Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239674 (CHEMBL4079818) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1ccc(OC(F)(F)F)c(c1)C(O)=O |c:13| Show InChI InChI=1S/C26H20F6N4O4/c1-11(2)24(18(10-33)21(34)39-22-20(24)12(3)35-36-22)15-6-14(7-16(9-15)25(27,28)29)13-4-5-19(40-26(30,31)32)17(8-13)23(37)38/h4-9,11H,34H2,1-3H3,(H,35,36)(H,37,38)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	268	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239655 (CHEMBL4085213) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)N1CCC(CC1)C(O)=O |c:13| Show InChI InChI=1S/C24H26F3N5O3/c1-12(2)23(18(11-28)20(29)35-21-19(23)13(3)30-31-21)15-8-16(24(25,26)27)10-17(9-15)32-6-4-14(5-7-32)22(33)34/h8-10,12,14H,4-7,29H2,1-3H3,(H,30,31)(H,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	312	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239666 (CHEMBL4094249) Show SMILES COc1ccc(s1)-c1cc(cc(c1)C1(C(C)C)c2c(C)[nH]nc2OC(N)=C1C#N)C#N |c:28| Show InChI InChI=1S/C23H21N5O2S/c1-12(2)23(17(11-25)21(26)30-22-20(23)13(3)27-28-22)16-8-14(10-24)7-15(9-16)18-5-6-19(29-4)31-18/h5-9,12H,26H2,1-4H3,(H,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	323	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239650 (CHEMBL4081230) Show SMILES CCC1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1ccc(s1)S(=O)(=O)N(C)C |c:12| Show InChI InChI=1S/C23H22F3N5O3S2/c1-5-22(16(11-27)20(28)34-21-19(22)12(2)29-30-21)14-8-13(9-15(10-14)23(24,25)26)17-6-7-18(35-17)36(32,33)31(3)4/h6-10H,5,28H2,1-4H3,(H,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239677 (CHEMBL4073208) Show SMILES COC(=O)c1ccc(s1)-c1cc(cc(c1)C1(C=C(N)Oc2n[nH]c(C)c12)C(C)C)C#N |t:18| Show InChI InChI=1S/C23H22N4O3S/c1-12(2)23(10-19(25)30-21-20(23)13(3)26-27-21)16-8-14(11-24)7-15(9-16)17-5-6-18(31-17)22(28)29-4/h5-10,12H,25H2,1-4H3,(H,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239678 (CHEMBL4077713) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)-c1ccc(s1)C(F)(F)F)C#N |c:13| Show InChI InChI=1S/C23H18F3N5OS/c1-11(2)22(16(10-28)20(29)32-21-19(22)12(3)30-31-21)15-7-13(9-27)6-14(8-15)17-4-5-18(33-17)23(24,25)26/h4-8,11H,29H2,1-3H3,(H,30,31)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	388	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase				J Med Chem 60: 4840-4860 (2017) Article DOI: 10.1021/acs.jmedchem.7b00008 BindingDB Entry DOI: 10.7270/Q2959KPJ
					More data for this Ligand-Target Pair

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