Compile Data Set for Download or QSAR

Found 483 hits with Last Name = 'di pisa' and Initial = 'f'   

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
Thymidylate synthase (Pneumocystis carinii)	BDBM50443313 (CHEMBL3088233) Show SMILES O=C(Oc1ccc2OC(=O)c3cccc1c23)c1cccc(c1)C#N Show InChI InChI=1S/C19H9NO4/c20-10-11-3-1-4-12(9-11)18(21)23-15-7-8-16-17-13(15)5-2-6-14(17)19(22)24-16/h1-9H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii thymidylate synthase using MTHF and dUMP as substrates				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50443313 (CHEMBL3088233) Show SMILES O=C(Oc1ccc2OC(=O)c3cccc1c23)c1cccc(c1)C#N Show InChI InChI=1S/C19H9NO4/c20-10-11-3-1-4-12(9-11)18(21)23-15-7-8-16-17-13(15)5-2-6-14(17)19(22)24-16/h1-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Lactobacillus casei thymidylate synthase using MTHF and dUMP as substrates				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50443314 (CHEMBL3088232) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Oc1ccc2OC(=O)c3cccc1c23 Show InChI InChI=1S/C18H9NO6/c20-17(10-4-6-11(7-5-10)19(22)23)24-14-8-9-15-16-12(14)2-1-3-13(16)18(21)25-15/h1-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Lactobacillus casei thymidylate synthase using MTHF and dUMP as substrates				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
					More data for this Ligand-Target Pair
Thymidylate synthase (Pneumocystis carinii)	BDBM50443314 (CHEMBL3088232) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Oc1ccc2OC(=O)c3cccc1c23 Show InChI InChI=1S/C18H9NO6/c20-17(10-4-6-11(7-5-10)19(22)23)24-14-8-9-15-16-12(14)2-1-3-13(16)18(21)25-15/h1-9H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii thymidylate synthase using MTHF and dUMP as substrates				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50443306 (CHEMBL3088242) Show SMILES C\C=C\C(=O)Oc1ccc2OC(=O)c3cccc1c23 Show InChI InChI=1S/C15H10O4/c1-2-4-13(16)18-11-7-8-12-14-9(11)5-3-6-10(14)15(17)19-12/h2-8H,1H3/b4-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Lactobacillus casei thymidylate synthase using MTHF and dUMP as substrates				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50077844 (3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one ...) Show SMILES Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)cc1 Show InChI InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Lactobacillus casei thymidylate synthase				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50443313 (CHEMBL3088233) Show SMILES O=C(Oc1ccc2OC(=O)c3cccc1c23)c1cccc(c1)C#N Show InChI InChI=1S/C19H9NO4/c20-10-11-3-1-4-12(9-11)18(21)23-15-7-8-16-17-13(15)5-2-6-14(17)19(22)24-16/h1-9H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using MTHF and dUMP as substrates				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50443310 (CHEMBL3088236) Show SMILES C=CC(=O)Oc1ccc2OC(=O)c3cccc1c23 Show InChI InChI=1S/C14H8O4/c1-2-12(15)17-10-6-7-11-13-8(10)4-3-5-9(13)14(16)18-11/h2-7H,1H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using MTHF and dUMP as substrates				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50443312 (CHEMBL3088234) Show SMILES CC(C)COC(=O)Oc1ccc2OC(=O)c3cccc1c23 Show InChI InChI=1S/C16H14O5/c1-9(2)8-19-16(18)21-12-6-7-13-14-10(12)4-3-5-11(14)15(17)20-13/h3-7,9H,8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Lactobacillus casei thymidylate synthase using MTHF and dUMP as substrates				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50443310 (CHEMBL3088236) Show SMILES C=CC(=O)Oc1ccc2OC(=O)c3cccc1c23 Show InChI InChI=1S/C14H8O4/c1-2-12(15)17-10-6-7-11-13-8(10)4-3-5-9(13)14(16)18-11/h2-7H,1H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Lactobacillus casei thymidylate synthase using MTHF and dUMP as substrates				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50443311 (CHEMBL3088235) Show SMILES CCOC(=O)Oc1ccc2OC(=O)c3cccc1c23 Show InChI InChI=1S/C14H10O5/c1-2-17-14(16)19-10-6-7-11-12-8(10)4-3-5-9(12)13(15)18-11/h3-7H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Lactobacillus casei thymidylate synthase using MTHF and dUMP as substrates				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
					More data for this Ligand-Target Pair
Thymidylate synthase (Pneumocystis carinii)	BDBM50443306 (CHEMBL3088242) Show SMILES C\C=C\C(=O)Oc1ccc2OC(=O)c3cccc1c23 Show InChI InChI=1S/C15H10O4/c1-2-4-13(16)18-11-7-8-12-14-9(11)5-3-6-10(14)15(17)19-12/h2-8H,1H3/b4-2+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii thymidylate synthase using MTHF and dUMP as substrates				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50443309 (CHEMBL3088237) Show SMILES O=C(Oc1ccc2OC(=O)c3cccc1c23)c1ccco1 Show InChI InChI=1S/C16H8O5/c17-15-10-4-1-3-9-11(6-7-12(21-15)14(9)10)20-16(18)13-5-2-8-19-13/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Lactobacillus casei thymidylate synthase using MTHF and dUMP as substrates				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
					More data for this Ligand-Target Pair
Thymidylate synthase (Pneumocystis carinii)	BDBM50443309 (CHEMBL3088237) Show SMILES O=C(Oc1ccc2OC(=O)c3cccc1c23)c1ccco1 Show InChI InChI=1S/C16H8O5/c17-15-10-4-1-3-9-11(6-7-12(21-15)14(9)10)20-16(18)13-5-2-8-19-13/h1-8H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii thymidylate synthase using MTHF and dUMP as substrates				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
					More data for this Ligand-Target Pair
Thymidylate synthase (Pneumocystis carinii)	BDBM50443308 (CHEMBL3088238) Show SMILES O=C(Oc1ccc2OC(=O)c3cccc1c23)C1CCCCC1 Show InChI InChI=1S/C18H16O4/c19-17(11-5-2-1-3-6-11)21-14-9-10-15-16-12(14)7-4-8-13(16)18(20)22-15/h4,7-11H,1-3,5-6H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii thymidylate synthase using MTHF and dUMP as substrates				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
					More data for this Ligand-Target Pair
Thymidylate synthase (Pneumocystis carinii)	BDBM50443310 (CHEMBL3088236) Show SMILES C=CC(=O)Oc1ccc2OC(=O)c3cccc1c23 Show InChI InChI=1S/C14H8O4/c1-2-12(15)17-10-6-7-11-13-8(10)4-3-5-9(13)14(16)18-11/h2-7H,1H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii thymidylate synthase using MTHF and dUMP as substrates				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50443309 (CHEMBL3088237) Show SMILES O=C(Oc1ccc2OC(=O)c3cccc1c23)c1ccco1 Show InChI InChI=1S/C16H8O5/c17-15-10-4-1-3-9-11(6-7-12(21-15)14(9)10)20-16(18)13-5-2-8-19-13/h1-8H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using MTHF and dUMP as substrates				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50443307 (CHEMBL3088239) Show SMILES FC(F)(F)c1cccc(c1)C(=O)Oc1ccc2OC(=O)c3cccc1c23 Show InChI InChI=1S/C19H9F3O4/c20-19(21,22)11-4-1-3-10(9-11)17(23)25-14-7-8-15-16-12(14)5-2-6-13(16)18(24)26-15/h1-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Lactobacillus casei thymidylate synthase using MTHF and dUMP as substrates				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
					More data for this Ligand-Target Pair
Thymidylate synthase (Pneumocystis carinii)	BDBM50443311 (CHEMBL3088235) Show SMILES CCOC(=O)Oc1ccc2OC(=O)c3cccc1c23 Show InChI InChI=1S/C14H10O5/c1-2-17-14(16)19-10-6-7-11-12-8(10)4-3-5-9(12)13(15)18-11/h3-7H,2H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii thymidylate synthase using MTHF and dUMP as substrates				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50443314 (CHEMBL3088232) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Oc1ccc2OC(=O)c3cccc1c23 Show InChI InChI=1S/C18H9NO6/c20-17(10-4-6-11(7-5-10)19(22)23)24-14-8-9-15-16-12(14)2-1-3-13(16)18(21)25-15/h1-9H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using MTHF and dUMP as substrates				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50443308 (CHEMBL3088238) Show SMILES O=C(Oc1ccc2OC(=O)c3cccc1c23)C1CCCCC1 Show InChI InChI=1S/C18H16O4/c19-17(11-5-2-1-3-6-11)21-14-9-10-15-16-12(14)7-4-8-13(16)18(20)22-15/h4,7-11H,1-3,5-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Lactobacillus casei thymidylate synthase using MTHF and dUMP as substrates				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50443311 (CHEMBL3088235) Show SMILES CCOC(=O)Oc1ccc2OC(=O)c3cccc1c23 Show InChI InChI=1S/C14H10O5/c1-2-17-14(16)19-10-6-7-11-12-8(10)4-3-5-9(12)13(15)18-11/h3-7H,2H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using MTHF and dUMP as substrates				J Med Chem 56: 9356-60 (2013) Article DOI: 10.1021/jm4014086 BindingDB Entry DOI: 10.7270/Q26D5VFP
					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600683 (CHEMBL5184936) Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(Cc1ccccc1)Cc1cnc2nc(N)nc(N)c2n1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600703 (CHEMBL5201183) Show SMILES CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)c1ccccc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600694 (CHEMBL5204239) Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NCCc3ccccc3)cnc2n1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600684 (CHEMBL5182125) Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(SCc2cnc3nc(N)nc(N)c3n2)nc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600693 (CHEMBL5175012) Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)c3ccccc3)cnc2n1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600702 (CHEMBL5199171) Show SMILES CCOC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(CC)Cc1cnc2nc(N)nc(N)c2n1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600701 (CHEMBL5200612) Show SMILES NC(=O)C1CCCN1C(=O)Cc1ccc(cc1)N(CCCO)Cc1cnc2nc(N)nc(N)c2n1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600679 (CHEMBL426 | Methotrexate | TCMDC-123832 | TCMDC-12...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600700 (CHEMBL5188304) Show SMILES NC(=O)C1CCN(CC1)C(=O)Cc1ccc(cc1)N(CCCO)Cc1cnc2nc(N)nc(N)c2n1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50050426 (6-(Naphthalen-1-ylaminomethyl)-pteridine-2,4-diami...) Show SMILES Nc1nc(N)c2nc(CNc3cccc4ccccc34)cnc2n1 Show InChI InChI=1S/C17H15N7/c18-15-14-16(24-17(19)23-15)21-9-11(22-14)8-20-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,20H,8H2,(H4,18,19,21,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600688 (CHEMBL5198855) Show SMILES Nc1nc(N)c2nc(cnc2n1)C(=O)NCc1ccccc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600689 (CHEMBL5175397) Show SMILES Nc1nc(N)c2nc(cnc2n1)C(=O)NCc1cccc(c1)C(F)(F)F Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50050426 (6-(Naphthalen-1-ylaminomethyl)-pteridine-2,4-diami...) Show SMILES Nc1nc(N)c2nc(CNc3cccc4ccccc34)cnc2n1 Show InChI InChI=1S/C17H15N7/c18-15-14-16(24-17(19)23-15)21-9-11(22-14)8-20-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,20H,8H2,(H4,18,19,21,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600692 (CHEMBL5197107) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N1CCCCC1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600683 (CHEMBL5184936) Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(Cc1ccccc1)Cc1cnc2nc(N)nc(N)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600691 (CHEMBL5205559) Show SMILES CCCOC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600693 (CHEMBL5175012) Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)c3ccccc3)cnc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600685 (CHEMBL5171609) Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(CCCO)Cc1cnc2nc(N)nc(N)c2n1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600694 (CHEMBL5204239) Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NCCc3ccccc3)cnc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50600679 (CHEMBL426 | Methotrexate | TCMDC-123832 | TCMDC-12...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50600679 (CHEMBL426 | Methotrexate | TCMDC-123832 | TCMDC-12...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600690 (CHEMBL5206994) Show SMILES CCOC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600682 (CHEMBL5193564) Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(CC#C)Cc1cnc2nc(N)nc(N)c2n1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50398394 (CHEMBL1232702) Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C22H26N8O3/c1-29(12-15-11-25-19-17(26-15)18(23)27-22(24)28-19)16-5-3-13(4-6-16)20(31)30-9-7-14(8-10-30)21(32)33-2/h3-6,11,14H,7-10,12H2,1-2H3,(H4,23,24,25,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600679 (CHEMBL426 | Methotrexate | TCMDC-123832 | TCMDC-12...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600703 (CHEMBL5201183) Show SMILES CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600684 (CHEMBL5182125) Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(SCc2cnc3nc(N)nc(N)c3n2)nc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600681 (CHEMBL5180552) Show SMILES CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N1CCC(CC1)C(=O)OC Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair

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