Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'vande voorde' and Initial = 'j'   

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 (Mus musculus)	BDBM50340678 (1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluoro...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 24 ...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340678 (1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluoro...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 4 h...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340678 (1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluoro...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxycytidine after preincubation for 15...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340678 (1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluoro...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 15 ...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340678 (1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluoro...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxycytidine after preincubation for 24...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340678 (1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluoro...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxycytidine after preincubation for 4 ...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340677 ((5-fluorouracil)5-Fluoro-1H-pyrimidine-2,4-dione |...) Show SMILES Fc1c[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 24 ...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340677 ((5-fluorouracil)5-Fluoro-1H-pyrimidine-2,4-dione |...) Show SMILES Fc1c[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxycytidine after preincubation for 24...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340675 ((S)-5-fluoro-4-hydroxy-1-(3-oxo-3,6-dihydro-2H-pyr...) Show SMILES Fc1cn([C@H]2OCC=CC2=O)c(=O)[nH]c1=O |r,c:7| Show InChI InChI=1S/C9H7FN2O4/c10-5-4-12(9(15)11-7(5)14)8-6(13)2-1-3-16-8/h1-2,4,8H,3H2,(H,11,14,15)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 24 ...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340675 ((S)-5-fluoro-4-hydroxy-1-(3-oxo-3,6-dihydro-2H-pyr...) Show SMILES Fc1cn([C@H]2OCC=CC2=O)c(=O)[nH]c1=O |r,c:7| Show InChI InChI=1S/C9H7FN2O4/c10-5-4-12(9(15)11-7(5)14)8-6(13)2-1-3-16-8/h1-2,4,8H,3H2,(H,11,14,15)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxycytidine after preincubation for 24...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340677 ((5-fluorouracil)5-Fluoro-1H-pyrimidine-2,4-dione |...) Show SMILES Fc1c[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 4 h...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340676 (CHEMBL1762225 | exo-(S)-5-fluoro-4-hydroxy-1-(3-me...) Show SMILES Fc1cn([C@H]2OCC=CC2=C)c(=O)[nH]c1=O |r,c:7| Show InChI InChI=1S/C10H9FN2O3/c1-6-3-2-4-16-9(6)13-5-7(11)8(14)12-10(13)15/h2-3,5,9H,1,4H2,(H,12,14,15)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 24 ...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340679 (CHEMBL1762230 | exo-1-((2S,4S,5R)-4,5-dihydroxy-3-...) Show SMILES O[C@@H]1CO[C@@H](C(=C)[C@@H]1O)n1cc(F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H11FN2O5/c1-4-7(15)6(14)3-18-9(4)13-2-5(11)8(16)12-10(13)17/h2,6-7,9,14-15H,1,3H2,(H,12,16,17)/t6-,7+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 24 ...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340677 ((5-fluorouracil)5-Fluoro-1H-pyrimidine-2,4-dione |...) Show SMILES Fc1c[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxycytidine after preincubation for 4 ...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340675 ((S)-5-fluoro-4-hydroxy-1-(3-oxo-3,6-dihydro-2H-pyr...) Show SMILES Fc1cn([C@H]2OCC=CC2=O)c(=O)[nH]c1=O |r,c:7| Show InChI InChI=1S/C9H7FN2O4/c10-5-4-12(9(15)11-7(5)14)8-6(13)2-1-3-16-8/h1-2,4,8H,3H2,(H,11,14,15)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 4 h...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340675 ((S)-5-fluoro-4-hydroxy-1-(3-oxo-3,6-dihydro-2H-pyr...) Show SMILES Fc1cn([C@H]2OCC=CC2=O)c(=O)[nH]c1=O |r,c:7| Show InChI InChI=1S/C9H7FN2O4/c10-5-4-12(9(15)11-7(5)14)8-6(13)2-1-3-16-8/h1-2,4,8H,3H2,(H,11,14,15)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxycytidine after preincubation for 4 ...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340676 (CHEMBL1762225 | exo-(S)-5-fluoro-4-hydroxy-1-(3-me...) Show SMILES Fc1cn([C@H]2OCC=CC2=C)c(=O)[nH]c1=O |r,c:7| Show InChI InChI=1S/C10H9FN2O3/c1-6-3-2-4-16-9(6)13-5-7(11)8(14)12-10(13)15/h2-3,5,9H,1,4H2,(H,12,14,15)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxycytidine after preincubation for 24...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340679 (CHEMBL1762230 | exo-1-((2S,4S,5R)-4,5-dihydroxy-3-...) Show SMILES O[C@@H]1CO[C@@H](C(=C)[C@@H]1O)n1cc(F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H11FN2O5/c1-4-7(15)6(14)3-18-9(4)13-2-5(11)8(16)12-10(13)17/h2,6-7,9,14-15H,1,3H2,(H,12,16,17)/t6-,7+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 4 h...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340679 (CHEMBL1762230 | exo-1-((2S,4S,5R)-4,5-dihydroxy-3-...) Show SMILES O[C@@H]1CO[C@@H](C(=C)[C@@H]1O)n1cc(F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H11FN2O5/c1-4-7(15)6(14)3-18-9(4)13-2-5(11)8(16)12-10(13)17/h2,6-7,9,14-15H,1,3H2,(H,12,16,17)/t6-,7+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxycytidine after preincubation for 24...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340679 (CHEMBL1762230 | exo-1-((2S,4S,5R)-4,5-dihydroxy-3-...) Show SMILES O[C@@H]1CO[C@@H](C(=C)[C@@H]1O)n1cc(F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H11FN2O5/c1-4-7(15)6(14)3-18-9(4)13-2-5(11)8(16)12-10(13)17/h2,6-7,9,14-15H,1,3H2,(H,12,16,17)/t6-,7+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxycytidine after preincubation for 4 ...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340677 ((5-fluorouracil)5-Fluoro-1H-pyrimidine-2,4-dione |...) Show SMILES Fc1c[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 15 ...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340675 ((S)-5-fluoro-4-hydroxy-1-(3-oxo-3,6-dihydro-2H-pyr...) Show SMILES Fc1cn([C@H]2OCC=CC2=O)c(=O)[nH]c1=O |r,c:7| Show InChI InChI=1S/C9H7FN2O4/c10-5-4-12(9(15)11-7(5)14)8-6(13)2-1-3-16-8/h1-2,4,8H,3H2,(H,11,14,15)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 15 ...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340679 (CHEMBL1762230 | exo-1-((2S,4S,5R)-4,5-dihydroxy-3-...) Show SMILES O[C@@H]1CO[C@@H](C(=C)[C@@H]1O)n1cc(F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H11FN2O5/c1-4-7(15)6(14)3-18-9(4)13-2-5(11)8(16)12-10(13)17/h2,6-7,9,14-15H,1,3H2,(H,12,16,17)/t6-,7+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxycytidine after preincubation for 15...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340676 (CHEMBL1762225 | exo-(S)-5-fluoro-4-hydroxy-1-(3-me...) Show SMILES Fc1cn([C@H]2OCC=CC2=C)c(=O)[nH]c1=O |r,c:7| Show InChI InChI=1S/C10H9FN2O3/c1-6-3-2-4-16-9(6)13-5-7(11)8(14)12-10(13)15/h2-3,5,9H,1,4H2,(H,12,14,15)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 4 h...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340676 (CHEMBL1762225 | exo-(S)-5-fluoro-4-hydroxy-1-(3-me...) Show SMILES Fc1cn([C@H]2OCC=CC2=C)c(=O)[nH]c1=O |r,c:7| Show InChI InChI=1S/C10H9FN2O3/c1-6-3-2-4-16-9(6)13-5-7(11)8(14)12-10(13)15/h2-3,5,9H,1,4H2,(H,12,14,15)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxycytidine after preincubation for 4 ...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340676 (CHEMBL1762225 | exo-(S)-5-fluoro-4-hydroxy-1-(3-me...) Show SMILES Fc1cn([C@H]2OCC=CC2=C)c(=O)[nH]c1=O |r,c:7| Show InChI InChI=1S/C10H9FN2O3/c1-6-3-2-4-16-9(6)13-5-7(11)8(14)12-10(13)15/h2-3,5,9H,1,4H2,(H,12,14,15)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 15 ...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340676 (CHEMBL1762225 | exo-(S)-5-fluoro-4-hydroxy-1-(3-me...) Show SMILES Fc1cn([C@H]2OCC=CC2=C)c(=O)[nH]c1=O |r,c:7| Show InChI InChI=1S/C10H9FN2O3/c1-6-3-2-4-16-9(6)13-5-7(11)8(14)12-10(13)15/h2-3,5,9H,1,4H2,(H,12,14,15)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxycytidine after preincubation for 15...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50340675 ((S)-5-fluoro-4-hydroxy-1-(3-oxo-3,6-dihydro-2H-pyr...) Show SMILES Fc1cn([C@H]2OCC=CC2=O)c(=O)[nH]c1=O |r,c:7| Show InChI InChI=1S/C9H7FN2O4/c10-5-4-12(9(15)11-7(5)14)8-6(13)2-1-3-16-8/h1-2,4,8H,3H2,(H,11,14,15)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxycytidine after preincubation for 15...				Eur J Med Chem 46: 993-1005 (2011) Article DOI: 10.1016/j.ejmech.2011.01.005 BindingDB Entry DOI: 10.7270/Q2X34XS1
					More data for this Ligand-Target Pair