Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'jaruwat' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18784 (5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1cccc(Cl)c1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-4-3-5-8(13)6-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology at Thailand Curated by ChEMBL					Assay Description Inhibition of human DHFR				ACS Med Chem Lett 9: 1235-1240 (2018) Article DOI: 10.1021/acsmedchemlett.8b00389 BindingDB Entry DOI: 10.7270/Q23J3H80
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50507459 (CHEMBL4462726) Show SMILES CCc1nc(N)nc(N)c1OCCCOc1ccc(cc1)-c1c(N)nc(N)nc1CC Show InChI InChI=1S/C21H28N8O2/c1-3-14-16(18(22)28-20(24)26-14)12-6-8-13(9-7-12)30-10-5-11-31-17-15(4-2)27-21(25)29-19(17)23/h6-9H,3-5,10-11H2,1-2H3,(H4,22,24,26,28)(H4,23,25,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology at Thailand Curated by ChEMBL					Assay Description Inhibition of human DHFR assessed as reduction in NADPH consumption by spectrophotometric method				ACS Med Chem Lett 9: 1235-1240 (2018) Article DOI: 10.1021/acsmedchemlett.8b00389 BindingDB Entry DOI: 10.7270/Q23J3H80
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50507457 (CHEMBL4454693) Show SMILES Cl.Cl.CCc1nc(N)nc(N)c1OCCCOc1ccc(cc1)-c1c(N)nc(N)nc1CC Show InChI InChI=1S/C21H28N8O2/c1-3-14-16(18(22)28-20(24)26-14)12-6-8-13(9-7-12)30-10-5-11-31-17-15(4-2)27-21(25)29-19(17)23/h6-9H,3-5,10-11H2,1-2H3,(H4,22,24,26,28)(H4,23,25,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology at Thailand Curated by ChEMBL					Assay Description Inhibition of human DHFR assessed as reduction in NADPH consumption by spectrophotometric method				ACS Med Chem Lett 9: 1235-1240 (2018) Article DOI: 10.1021/acsmedchemlett.8b00389 BindingDB Entry DOI: 10.7270/Q23J3H80
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50507456 (CHEMBL4442735) Show SMILES CCc1nc(N)nc(N)c1OCCCOc1cccc(c1)-c1c(N)nc(N)nc1CC Show InChI InChI=1S/C21H28N8O2/c1-3-14-16(18(22)28-20(24)26-14)12-7-5-8-13(11-12)30-9-6-10-31-17-15(4-2)27-21(25)29-19(17)23/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H4,22,24,26,28)(H4,23,25,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology at Thailand Curated by ChEMBL					Assay Description Inhibition of human DHFR assessed as reduction in NADPH consumption by spectrophotometric method				ACS Med Chem Lett 9: 1235-1240 (2018) Article DOI: 10.1021/acsmedchemlett.8b00389 BindingDB Entry DOI: 10.7270/Q23J3H80
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology at Thailand Curated by ChEMBL					Assay Description Inhibition of human DHFR				ACS Med Chem Lett 9: 1235-1240 (2018) Article DOI: 10.1021/acsmedchemlett.8b00389 BindingDB Entry DOI: 10.7270/Q23J3H80
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50507458 (CHEMBL4460601) Show SMILES Cl.Cl.CCc1nc(N)nc(N)c1-c1ccc(OCCCOc2ccc(cc2)-c2c(N)nc(N)nc2CC)cc1 Show InChI InChI=1S/C27H32N8O2/c1-3-20-22(24(28)34-26(30)32-20)16-6-10-18(11-7-16)36-14-5-15-37-19-12-8-17(9-13-19)23-21(4-2)33-27(31)35-25(23)29/h6-13H,3-5,14-15H2,1-2H3,(H4,28,30,32,34)(H4,29,31,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology at Thailand Curated by ChEMBL					Assay Description Inhibition of human DHFR assessed as reduction in NADPH consumption by spectrophotometric method				ACS Med Chem Lett 9: 1235-1240 (2018) Article DOI: 10.1021/acsmedchemlett.8b00389 BindingDB Entry DOI: 10.7270/Q23J3H80
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50452169 (CHEMBL3819601) Show SMILES Cc1nc(N)nc(N)c1OCCCOc1cc(Cl)c(Cl)cc1Cl Show InChI InChI=1S/C14H15Cl3N4O2/c1-7-12(13(18)21-14(19)20-7)23-4-2-3-22-11-6-9(16)8(15)5-10(11)17/h5-6H,2-4H2,1H3,(H4,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Genetic Engineering and Biotechnology at Thailand Curated by ChEMBL					Assay Description Inhibition of human DHFR assessed as reduction in NADPH consumption by spectrophotometric method				ACS Med Chem Lett 9: 1235-1240 (2018) Article DOI: 10.1021/acsmedchemlett.8b00389 BindingDB Entry DOI: 10.7270/Q23J3H80
					More data for this Ligand-Target Pair
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
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
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
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
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)	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
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
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
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
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
Glycine hydroxymethyltransferase (Plasmodium falciparum)	BDBM50239669 (CHEMBL4067746) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(Cl)cc(c1)-c1ccc(Cl)s1 |c:13| Show InChI InChI=1S/C21H18Cl2N4OS/c1-10(2)21(15(9-24)19(25)28-20-18(21)11(3)26-27-20)13-6-12(7-14(22)8-13)16-4-5-17(23)29-16/h4-8,10H,25H2,1-3H3,(H,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	485	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)	BDBM50239637 (CHEMBL4089096) Show SMILES CN(C)S(=O)(=O)c1ccc(s1)-c1cc(cc(c1)C1(C2CCC2)c2c(C)[nH]nc2OC(N)=C1C#N)C(F)(F)F |c:34| Show InChI InChI=1S/C25H24F3N5O3S2/c1-13-21-23(32-31-13)36-22(30)18(12-29)24(21,15-5-4-6-15)16-9-14(10-17(11-16)25(26,27)28)19-7-8-20(37-19)38(34,35)33(2)3/h7-11,15H,4-6,30H2,1-3H3,(H,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	498	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)	BDBM50239649 (CHEMBL4065935) Show SMILES CC(C)C1(c2c(OC(N)=C1C#N)n[nH]c2C1CC1)c1cc(cc(c1)C(F)(F)F)-c1ccc(s1)S(=O)(=O)N(C)C |c:8| Show InChI InChI=1S/C26H26F3N5O3S2/c1-13(2)25(18(12-30)23(31)37-24-21(25)22(32-33-24)14-5-6-14)16-9-15(10-17(11-16)26(27,28)29)19-7-8-20(38-19)39(35,36)34(3)4/h7-11,13-14H,5-6,31H2,1-4H3,(H,32,33)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	576	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)	BDBM50239642 (CHEMBL4088964) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(Br)cc(c1)-c1ccc(Cl)s1 |c:13| Show InChI InChI=1S/C21H18BrClN4OS/c1-10(2)21(15(9-24)19(25)28-20-18(21)11(3)26-27-20)13-6-12(7-14(22)8-13)16-4-5-17(23)29-16/h4-8,10H,25H2,1-3H3,(H,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	892	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)	BDBM50239651 (CHEMBL4099248) Show SMILES CN(C)S(=O)(=O)c1ccc(s1)-c1cc(cc(c1)C1(C2CC2)c2c(C)[nH]nc2OC(N)=C1C#N)C(F)(F)F |c:33| Show InChI InChI=1S/C24H22F3N5O3S2/c1-12-20-22(31-30-12)35-21(29)17(11-28)23(20,14-4-5-14)15-8-13(9-16(10-15)24(25,26)27)18-6-7-19(36-18)37(33,34)32(2)3/h6-10,14H,4-5,29H2,1-3H3,(H,30,31)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	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)	BDBM50239665 (CHEMBL4060666) 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-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.58E+3	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)	BDBM50239644 (CHEMBL4082315) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(OC(F)(F)F)cc(c1)-c1ccc(Cl)s1 |c:13| Show InChI InChI=1S/C22H18ClF3N4O2S/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)33-16)7-14(8-13)32-22(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	3.76E+3	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)	BDBM50239645 (CHEMBL4090164) Show SMILES CC(C)c1cc(cc(c1)C1(C(C)C)c2c(C)[nH]nc2OC(N)=C1C#N)-c1ccc(Cl)s1 |c:23| Show InChI InChI=1S/C24H25ClN4OS/c1-12(2)15-8-16(19-6-7-20(25)31-19)10-17(9-15)24(13(3)4)18(11-26)22(27)30-23-21(24)14(5)28-29-23/h6-10,12-13H,27H2,1-5H3,(H,28,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.51E+3	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)	BDBM50239646 (CHEMBL4084834) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(C)(C)C)-c1ccc(Cl)s1 |c:13| Show InChI InChI=1S/C25H27ClN4OS/c1-13(2)25(18(12-27)22(28)31-23-21(25)14(3)29-30-23)17-10-15(19-7-8-20(26)32-19)9-16(11-17)24(4,5)6/h7-11,13H,28H2,1-6H3,(H,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.50E+3	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)	BDBM50239670 (CHEMBL4062141) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(CC(F)(F)F)cc(c1)-c1ccc(Cl)s1 |c:13| Show InChI InChI=1S/C23H20ClF3N4OS/c1-11(2)23(16(10-28)20(29)32-21-19(23)12(3)30-31-21)15-7-13(9-22(25,26)27)6-14(8-15)17-4-5-18(24)33-17/h4-8,11H,9,29H2,1-3H3,(H,30,31)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.11E+3	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50239639 (CHEMBL4080522) Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1cccnc1 |c:13| Show InChI InChI=1S/C23H20F3N5O/c1-12(2)22(18(10-27)20(28)32-21-19(22)13(3)30-31-21)16-7-15(14-5-4-6-29-11-14)8-17(9-16)23(24,25)26/h4-9,11-12H,28H2,1-3H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+4	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 human ERG expressed in CHO cells after 30 mins by BTC-AM dye based thallium flux 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