Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50035699   

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 (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	16	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase of Lactobacillus casei				J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidylate synthase (Escherichia coli)	BDBM50022390 (2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pter...) Show SMILES Nc1nc2NCC(CCNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 Show InChI InChI=1S/C20H25N7O6/c21-20-26-16-15(18(31)27-20)24-12(9-23-16)7-8-22-11-3-1-10(2-4-11)17(30)25-13(19(32)33)5-6-14(28)29/h1-4,12-13,22,24H,5-9H2,(H,25,30)(H,28,29)(H,32,33)(H4,21,23,26,27,31)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity against thymidylate synthase of Escherichia coli				J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50022388 (2-{4-[(2-Amino-4-hydroxy-pyrido[3,2-d]pyrimidin-6-...) Show SMILES Nc1nc2ccc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)nc2c(=O)[nH]1 Show InChI InChI=1S/C20H20N6O6/c21-20-25-13-6-5-12(23-16(13)18(30)26-20)9-22-11-3-1-10(2-4-11)17(29)24-14(19(31)32)7-8-15(27)28/h1-6,14,22H,7-9H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,25,26,30)	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	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity against AICAR formyltransferase of Lactobacillus casei				J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50022388 (2-{4-[(2-Amino-4-hydroxy-pyrido[3,2-d]pyrimidin-6-...) Show SMILES Nc1nc2ccc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)nc2c(=O)[nH]1 Show InChI InChI=1S/C20H20N6O6/c21-20-25-13-6-5-12(23-16(13)18(30)26-20)9-22-11-3-1-10(2-4-11)17(29)24-14(19(31)32)7-8-15(27)28/h1-6,14,22H,7-9H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,25,26,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase of Lactobacillus casei				J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44
					More data for this Ligand-Target Pair				3D Structure (docked)
Thymidylate synthase (Lactobacillus casei)	BDBM50022388 (2-{4-[(2-Amino-4-hydroxy-pyrido[3,2-d]pyrimidin-6-...) Show SMILES Nc1nc2ccc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)nc2c(=O)[nH]1 Show InChI InChI=1S/C20H20N6O6/c21-20-25-13-6-5-12(23-16(13)18(30)26-20)9-22-11-3-1-10(2-4-11)17(29)24-14(19(31)32)7-8-15(27)28/h1-6,14,22H,7-9H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,25,26,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity against thymidylate synthase of Lactobacillus casei				J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50022388 (2-{4-[(2-Amino-4-hydroxy-pyrido[3,2-d]pyrimidin-6-...) Show SMILES Nc1nc2ccc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)nc2c(=O)[nH]1 Show InChI InChI=1S/C20H20N6O6/c21-20-25-13-6-5-12(23-16(13)18(30)26-20)9-22-11-3-1-10(2-4-11)17(29)24-14(19(31)32)7-8-15(27)28/h1-6,14,22H,7-9H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,25,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity against GAR transformylase of Lactobacillus casei				J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (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 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 PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity against AICAR formyltransferase of Lactobacillus casei				J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50022387 (2-{4-[(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyrido...) Show SMILES Nc1nc2CCC(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 Show InChI InChI=1S/C20H24N6O6/c21-20-25-13-6-5-12(23-16(13)18(30)26-20)9-22-11-3-1-10(2-4-11)17(29)24-14(19(31)32)7-8-15(27)28/h1-4,12,14,22-23H,5-9H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,25,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity against GAR transformylase of Lactobacillus casei				J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50022387 (2-{4-[(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyrido...) Show SMILES Nc1nc2CCC(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 Show InChI InChI=1S/C20H24N6O6/c21-20-25-13-6-5-12(23-16(13)18(30)26-20)9-22-11-3-1-10(2-4-11)17(29)24-14(19(31)32)7-8-15(27)28/h1-4,12,14,22-23H,5-9H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,25,26,30)	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity against AICAR formyltransferase of Lactobacillus casei				J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50022386 (2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyri...) Show SMILES Nc1nc2CCC(CCNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 Show InChI InChI=1S/C21H26N6O6/c22-21-26-14-6-5-13(24-17(14)19(31)27-21)9-10-23-12-3-1-11(2-4-12)18(30)25-15(20(32)33)7-8-16(28)29/h1-4,13,15,23-24H,5-10H2,(H,25,30)(H,28,29)(H,32,33)(H3,22,26,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity against GAR transformylase of Lactobacillus casei				J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity against GAR transformylase of Lactobacillus casei				J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50022386 (2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyri...) Show SMILES Nc1nc2CCC(CCNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 Show InChI InChI=1S/C21H26N6O6/c22-21-26-14-6-5-13(24-17(14)19(31)27-21)9-10-23-12-3-1-11(2-4-12)18(30)25-15(20(32)33)7-8-16(28)29/h1-4,13,15,23-24H,5-10H2,(H,25,30)(H,28,29)(H,32,33)(H3,22,26,27,31)	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	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity against AICAR formyltransferase of Lactobacillus casei				J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50022385 (2-{4-[2-(2-Amino-4-hydroxy-pyrido[3,2-d]pyrimidin-...) Show SMILES Nc1nc2ccc(CCNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)nc2c(=O)[nH]1 Show InChI InChI=1S/C21H22N6O6/c22-21-26-14-6-5-13(24-17(14)19(31)27-21)9-10-23-12-3-1-11(2-4-12)18(30)25-15(20(32)33)7-8-16(28)29/h1-6,15,23H,7-10H2,(H,25,30)(H,28,29)(H,32,33)(H3,22,26,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity against GAR transformylase of Lactobacillus casei				J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50022385 (2-{4-[2-(2-Amino-4-hydroxy-pyrido[3,2-d]pyrimidin-...) Show SMILES Nc1nc2ccc(CCNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)nc2c(=O)[nH]1 Show InChI InChI=1S/C21H22N6O6/c22-21-26-14-6-5-13(24-17(14)19(31)27-21)9-10-23-12-3-1-11(2-4-12)18(30)25-15(20(32)33)7-8-16(28)29/h1-6,15,23H,7-10H2,(H,25,30)(H,28,29)(H,32,33)(H3,22,26,27,31)	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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity against AICAR formyltransferase of Lactobacillus casei				J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50022387 (2-{4-[(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyrido...) Show SMILES Nc1nc2CCC(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 Show InChI InChI=1S/C20H24N6O6/c21-20-25-13-6-5-12(23-16(13)18(30)26-20)9-22-11-3-1-10(2-4-11)17(29)24-14(19(31)32)7-8-15(27)28/h1-4,12,14,22-23H,5-9H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,25,26,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase of Lactobacillus casei				J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50022387 (2-{4-[(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyrido...) Show SMILES Nc1nc2CCC(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 Show InChI InChI=1S/C20H24N6O6/c21-20-25-13-6-5-12(23-16(13)18(30)26-20)9-22-11-3-1-10(2-4-11)17(29)24-14(19(31)32)7-8-15(27)28/h1-4,12,14,22-23H,5-9H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,25,26,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity against thymidylate synthase of Lactobacillus casei				J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44
					More data for this Ligand-Target Pair
Thymidylate synthase (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	PubMed	n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity against thymidylate synthase of Lactobacillus casei				J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50022385 (2-{4-[2-(2-Amino-4-hydroxy-pyrido[3,2-d]pyrimidin-...) Show SMILES Nc1nc2ccc(CCNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)nc2c(=O)[nH]1 Show InChI InChI=1S/C21H22N6O6/c22-21-26-14-6-5-13(24-17(14)19(31)27-21)9-10-23-12-3-1-11(2-4-12)18(30)25-15(20(32)33)7-8-16(28)29/h1-6,15,23H,7-10H2,(H,25,30)(H,28,29)(H,32,33)(H3,22,26,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity against thymidylate synthase of Lactobacillus casei				J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50022385 (2-{4-[2-(2-Amino-4-hydroxy-pyrido[3,2-d]pyrimidin-...) Show SMILES Nc1nc2ccc(CCNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)nc2c(=O)[nH]1 Show InChI InChI=1S/C21H22N6O6/c22-21-26-14-6-5-13(24-17(14)19(31)27-21)9-10-23-12-3-1-11(2-4-12)18(30)25-15(20(32)33)7-8-16(28)29/h1-6,15,23H,7-10H2,(H,25,30)(H,28,29)(H,32,33)(H3,22,26,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase of Lactobacillus casei				J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50022386 (2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyri...) Show SMILES Nc1nc2CCC(CCNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 Show InChI InChI=1S/C21H26N6O6/c22-21-26-14-6-5-13(24-17(14)19(31)27-21)9-10-23-12-3-1-11(2-4-12)18(30)25-15(20(32)33)7-8-16(28)29/h1-4,13,15,23-24H,5-10H2,(H,25,30)(H,28,29)(H,32,33)(H3,22,26,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase of Lactobacillus casei				J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50022386 (2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyri...) Show SMILES Nc1nc2CCC(CCNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 Show InChI InChI=1S/C21H26N6O6/c22-21-26-14-6-5-13(24-17(14)19(31)27-21)9-10-23-12-3-1-11(2-4-12)18(30)25-15(20(32)33)7-8-16(28)29/h1-4,13,15,23-24H,5-10H2,(H,25,30)(H,28,29)(H,32,33)(H3,22,26,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity against thymidylate synthase of Lactobacillus casei				J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44
					More data for this Ligand-Target Pair