Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50005805   

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 (Pneumocystis carinii)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Pneumocystis carinii				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in rat liver				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	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 MMDB PDB PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in recombinant human				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Lactobacillus casei)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Lactobacillus casei				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Toxoplasma gondii				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES CN(Cc1coc2nc(N)nc(N)c12)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N6O6/c1-26(8-11-9-32-18-15(11)16(21)24-20(22)25-18)12-4-2-10(3-5-12)17(29)23-13(19(30)31)6-7-14(27)28/h2-5,9,13H,6-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H4,21,22,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Pneumocystis carinii				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES CN(Cc1coc2nc(N)nc(N)c12)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N6O6/c1-26(8-11-9-32-18-15(11)16(21)24-20(22)25-18)12-4-2-10(3-5-12)17(29)23-13(19(30)31)6-7-14(27)28/h2-5,9,13H,6-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H4,21,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in recombinant human				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Lactobacillus casei)	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES CN(Cc1coc2nc(N)nc(N)c12)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N6O6/c1-26(8-11-9-32-18-15(11)16(21)24-20(22)25-18)12-4-2-10(3-5-12)17(29)23-13(19(30)31)6-7-14(27)28/h2-5,9,13H,6-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H4,21,22,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Lactobacillus casei				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES CN(Cc1coc2nc(N)nc(N)c12)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N6O6/c1-26(8-11-9-32-18-15(11)16(21)24-20(22)25-18)12-4-2-10(3-5-12)17(29)23-13(19(30)31)6-7-14(27)28/h2-5,9,13H,6-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H4,21,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in rat liver				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50041179 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)coc2n1 Show InChI InChI=1S/C19H20N6O6/c20-15-14-10(8-31-17(14)25-19(21)24-15)7-22-11-3-1-9(2-4-11)16(28)23-12(18(29)30)5-6-13(26)27/h1-4,8,12,22H,5-7H2,(H,23,28)(H,26,27)(H,29,30)(H4,20,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in recombinant human				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50041179 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)coc2n1 Show InChI InChI=1S/C19H20N6O6/c20-15-14-10(8-31-17(14)25-19(21)24-15)7-22-11-3-1-9(2-4-11)16(28)23-12(18(29)30)5-6-13(26)27/h1-4,8,12,22H,5-7H2,(H,23,28)(H,26,27)(H,29,30)(H4,20,21,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Lactobacillus casei				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50041179 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)coc2n1 Show InChI InChI=1S/C19H20N6O6/c20-15-14-10(8-31-17(14)25-19(21)24-15)7-22-11-3-1-9(2-4-11)16(28)23-12(18(29)30)5-6-13(26)27/h1-4,8,12,22H,5-7H2,(H,23,28)(H,26,27)(H,29,30)(H4,20,21,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Toxoplasma gondii				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50041179 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)coc2n1 Show InChI InChI=1S/C19H20N6O6/c20-15-14-10(8-31-17(14)25-19(21)24-15)7-22-11-3-1-9(2-4-11)16(28)23-12(18(29)30)5-6-13(26)27/h1-4,8,12,22H,5-7H2,(H,23,28)(H,26,27)(H,29,30)(H4,20,21,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Pneumocystis carinii				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50041179 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)coc2n1 Show InChI InChI=1S/C19H20N6O6/c20-15-14-10(8-31-17(14)25-19(21)24-15)7-22-11-3-1-9(2-4-11)16(28)23-12(18(29)30)5-6-13(26)27/h1-4,8,12,22H,5-7H2,(H,23,28)(H,26,27)(H,29,30)(H4,20,21,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in rat liver				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50041178 (5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyri...) Show SMILES Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)coc2n1 Show InChI InChI=1S/C13H11Cl2N5O/c14-8-2-1-7(3-9(8)15)18-4-6-5-21-12-10(6)11(16)19-13(17)20-12/h1-3,5,18H,4H2,(H4,16,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Lactobacillus casei				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50041177 (5-((3,4,5-trichlorophenylamino)methyl)furo[2,3-d]p...) Show SMILES Nc1nc(N)c2c(CNc3cc(Cl)c(Cl)c(Cl)c3)coc2n1 Show InChI InChI=1S/C13H10Cl3N5O/c14-7-1-6(2-8(15)10(7)16)19-3-5-4-22-12-9(5)11(17)20-13(18)21-12/h1-2,4,19H,3H2,(H4,17,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Toxoplasma gondii				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50041175 (5-[(3,4,5-Trimethoxy-phenylamino)-methyl]-furo[2,3...) Show SMILES COc1cc(NCc2coc3nc(N)nc(N)c23)cc(OC)c1OC Show InChI InChI=1S/C16H19N5O4/c1-22-10-4-9(5-11(23-2)13(10)24-3)19-6-8-7-25-15-12(8)14(17)20-16(18)21-15/h4-5,7,19H,6H2,1-3H3,(H4,17,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Toxoplasma gondii				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50041175 (5-[(3,4,5-Trimethoxy-phenylamino)-methyl]-furo[2,3...) Show SMILES COc1cc(NCc2coc3nc(N)nc(N)c23)cc(OC)c1OC Show InChI InChI=1S/C16H19N5O4/c1-22-10-4-9(5-11(23-2)13(10)24-3)19-6-8-7-25-15-12(8)14(17)20-16(18)21-15/h4-5,7,19H,6H2,1-3H3,(H4,17,18,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Pneumocystis carinii				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50041177 (5-((3,4,5-trichlorophenylamino)methyl)furo[2,3-d]p...) Show SMILES Nc1nc(N)c2c(CNc3cc(Cl)c(Cl)c(Cl)c3)coc2n1 Show InChI InChI=1S/C13H10Cl3N5O/c14-7-1-6(2-8(15)10(7)16)19-3-5-4-22-12-9(5)11(17)20-13(18)21-12/h1-2,4,19H,3H2,(H4,17,18,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Pneumocystis carinii				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50041178 (5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyri...) Show SMILES Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)coc2n1 Show InChI InChI=1S/C13H11Cl2N5O/c14-8-2-1-7(3-9(8)15)18-4-6-5-21-12-10(6)11(16)19-13(17)20-12/h1-3,5,18H,4H2,(H4,16,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in recombinant human				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50041180 (5-[(2,5-Dimethoxy-phenylamino)-methyl]-furo[2,3-d]...) Show SMILES COc1ccc(OC)c(NCc2coc3nc(N)nc(N)c23)c1 Show InChI InChI=1S/C15H17N5O3/c1-21-9-3-4-11(22-2)10(5-9)18-6-8-7-23-14-12(8)13(16)19-15(17)20-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in recombinant human				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES CN(Cc1coc2nc(N)nc(N)c12)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N6O6/c1-26(8-11-9-32-18-15(11)16(21)24-20(22)25-18)12-4-2-10(3-5-12)17(29)23-13(19(30)31)6-7-14(27)28/h2-5,9,13H,6-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H4,21,22,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Toxoplasma gondii				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50041180 (5-[(2,5-Dimethoxy-phenylamino)-methyl]-furo[2,3-d]...) Show SMILES COc1ccc(OC)c(NCc2coc3nc(N)nc(N)c23)c1 Show InChI InChI=1S/C15H17N5O3/c1-21-9-3-4-11(22-2)10(5-9)18-6-8-7-23-14-12(8)13(16)19-15(17)20-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Toxoplasma gondii				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50041180 (5-[(2,5-Dimethoxy-phenylamino)-methyl]-furo[2,3-d]...) Show SMILES COc1ccc(OC)c(NCc2coc3nc(N)nc(N)c23)c1 Show InChI InChI=1S/C15H17N5O3/c1-21-9-3-4-11(22-2)10(5-9)18-6-8-7-23-14-12(8)13(16)19-15(17)20-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Pneumocystis carinii				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50041180 (5-[(2,5-Dimethoxy-phenylamino)-methyl]-furo[2,3-d]...) Show SMILES COc1ccc(OC)c(NCc2coc3nc(N)nc(N)c23)c1 Show InChI InChI=1S/C15H17N5O3/c1-21-9-3-4-11(22-2)10(5-9)18-6-8-7-23-14-12(8)13(16)19-15(17)20-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in rat liver				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50041177 (5-((3,4,5-trichlorophenylamino)methyl)furo[2,3-d]p...) Show SMILES Nc1nc(N)c2c(CNc3cc(Cl)c(Cl)c(Cl)c3)coc2n1 Show InChI InChI=1S/C13H10Cl3N5O/c14-7-1-6(2-8(15)10(7)16)19-3-5-4-22-12-9(5)11(17)20-13(18)21-12/h1-2,4,19H,3H2,(H4,17,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in recombinant human				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50041177 (5-((3,4,5-trichlorophenylamino)methyl)furo[2,3-d]p...) Show SMILES Nc1nc(N)c2c(CNc3cc(Cl)c(Cl)c(Cl)c3)coc2n1 Show InChI InChI=1S/C13H10Cl3N5O/c14-7-1-6(2-8(15)10(7)16)19-3-5-4-22-12-9(5)11(17)20-13(18)21-12/h1-2,4,19H,3H2,(H4,17,18,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Lactobacillus casei				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50041177 (5-((3,4,5-trichlorophenylamino)methyl)furo[2,3-d]p...) Show SMILES Nc1nc(N)c2c(CNc3cc(Cl)c(Cl)c(Cl)c3)coc2n1 Show InChI InChI=1S/C13H10Cl3N5O/c14-7-1-6(2-8(15)10(7)16)19-3-5-4-22-12-9(5)11(17)20-13(18)21-12/h1-2,4,19H,3H2,(H4,17,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in rat liver				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50041175 (5-[(3,4,5-Trimethoxy-phenylamino)-methyl]-furo[2,3...) Show SMILES COc1cc(NCc2coc3nc(N)nc(N)c23)cc(OC)c1OC Show InChI InChI=1S/C16H19N5O4/c1-22-10-4-9(5-11(23-2)13(10)24-3)19-6-8-7-25-15-12(8)14(17)20-16(18)21-15/h4-5,7,19H,6H2,1-3H3,(H4,17,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in recombinant human				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50041175 (5-[(3,4,5-Trimethoxy-phenylamino)-methyl]-furo[2,3...) Show SMILES COc1cc(NCc2coc3nc(N)nc(N)c23)cc(OC)c1OC Show InChI InChI=1S/C16H19N5O4/c1-22-10-4-9(5-11(23-2)13(10)24-3)19-6-8-7-25-15-12(8)14(17)20-16(18)21-15/h4-5,7,19H,6H2,1-3H3,(H4,17,18,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Lactobacillus casei				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES CN(Cc1coc2nc(N)nc(N)c12)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N6O6/c1-26(8-11-9-32-18-15(11)16(21)24-20(22)25-18)12-4-2-10(3-5-12)17(29)23-13(19(30)31)6-7-14(27)28/h2-5,9,13H,6-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H4,21,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against L. casei AICAR formyltransferase				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES CN(Cc1coc2nc(N)nc(N)c12)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N6O6/c1-26(8-11-9-32-18-15(11)16(21)24-20(22)25-18)12-4-2-10(3-5-12)17(29)23-13(19(30)31)6-7-14(27)28/h2-5,9,13H,6-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H4,21,22,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound in glycinamide ribonucleotide formyltransferase (GARFT) L. casei				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50041179 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)coc2n1 Show InChI InChI=1S/C19H20N6O6/c20-15-14-10(8-31-17(14)25-19(21)24-15)7-22-11-3-1-9(2-4-11)16(28)23-12(18(29)30)5-6-13(26)27/h1-4,8,12,22H,5-7H2,(H,23,28)(H,26,27)(H,29,30)(H4,20,21,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound in glycinamide ribonucleotide formyltransferase (GARFT) L. casei				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50041179 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)coc2n1 Show InChI InChI=1S/C19H20N6O6/c20-15-14-10(8-31-17(14)25-19(21)24-15)7-22-11-3-1-9(2-4-11)16(28)23-12(18(29)30)5-6-13(26)27/h1-4,8,12,22H,5-7H2,(H,23,28)(H,26,27)(H,29,30)(H4,20,21,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against L. casei AICAR formyltransferase				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50041180 (5-[(2,5-Dimethoxy-phenylamino)-methyl]-furo[2,3-d]...) Show SMILES COc1ccc(OC)c(NCc2coc3nc(N)nc(N)c23)c1 Show InChI InChI=1S/C15H17N5O3/c1-21-9-3-4-11(22-2)10(5-9)18-6-8-7-23-14-12(8)13(16)19-15(17)20-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Lactobacillus casei				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50041178 (5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyri...) Show SMILES Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)coc2n1 Show InChI InChI=1S/C13H11Cl2N5O/c14-8-2-1-7(3-9(8)15)18-4-6-5-21-12-10(6)11(16)19-13(17)20-12/h1-3,5,18H,4H2,(H4,16,17,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Pneumocystis carinii				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50041178 (5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyri...) Show SMILES Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)coc2n1 Show InChI InChI=1S/C13H11Cl2N5O/c14-8-2-1-7(3-9(8)15)18-4-6-5-21-12-10(6)11(16)19-13(17)20-12/h1-3,5,18H,4H2,(H4,16,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in rat liver				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50041175 (5-[(3,4,5-Trimethoxy-phenylamino)-methyl]-furo[2,3...) Show SMILES COc1cc(NCc2coc3nc(N)nc(N)c23)cc(OC)c1OC Show InChI InChI=1S/C16H19N5O4/c1-22-10-4-9(5-11(23-2)13(10)24-3)19-6-8-7-25-15-12(8)14(17)20-16(18)21-15/h4-5,7,19H,6H2,1-3H3,(H4,17,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in rat liver				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50041178 (5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyri...) Show SMILES Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)coc2n1 Show InChI InChI=1S/C13H11Cl2N5O/c14-8-2-1-7(3-9(8)15)18-4-6-5-21-12-10(6)11(16)19-13(17)20-12/h1-3,5,18H,4H2,(H4,16,17,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Toxoplasma gondii				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	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 PDB PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for TS in human				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidylate synthase (Homo sapiens (Human))	BDBM50041179 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)coc2n1 Show InChI InChI=1S/C19H20N6O6/c20-15-14-10(8-31-17(14)25-19(21)24-15)7-22-11-3-1-9(2-4-11)16(28)23-12(18(29)30)5-6-13(26)27/h1-4,8,12,22H,5-7H2,(H,23,28)(H,26,27)(H,29,30)(H4,20,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for TS in human				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES CN(Cc1coc2nc(N)nc(N)c12)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N6O6/c1-26(8-11-9-32-18-15(11)16(21)24-20(22)25-18)12-4-2-10(3-5-12)17(29)23-13(19(30)31)6-7-14(27)28/h2-5,9,13H,6-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H4,21,22,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for TS in Lactobacillus casei				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES CN(Cc1coc2nc(N)nc(N)c12)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N6O6/c1-26(8-11-9-32-18-15(11)16(21)24-20(22)25-18)12-4-2-10(3-5-12)17(29)23-13(19(30)31)6-7-14(27)28/h2-5,9,13H,6-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H4,21,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for TS in human				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50041179 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)coc2n1 Show InChI InChI=1S/C19H20N6O6/c20-15-14-10(8-31-17(14)25-19(21)24-15)7-22-11-3-1-9(2-4-11)16(28)23-12(18(29)30)5-6-13(26)27/h1-4,8,12,22H,5-7H2,(H,23,28)(H,26,27)(H,29,30)(H4,20,21,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for TS in Lactobacillus casei				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair