Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'liekens' and Initial = 's'   

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
Prothrombin (Homo sapiens (Human))	BDBM50403106 (CHEMBL2216916) Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2O[C@@H](COc3ccc(cc3)C(N)=N)COc2c1 |r| Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)35-17-22(36-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin				Eur J Med Chem 58: 160-70 (2012) Article DOI: 10.1016/j.ejmech.2012.10.001 BindingDB Entry DOI: 10.7270/Q2J38TRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50403105 (CHEMBL2216917) Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC(COc3ccc(cc3)C(N)=N)COc2c1 Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)35-17-22(36-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin				Eur J Med Chem 58: 160-70 (2012) Article DOI: 10.1016/j.ejmech.2012.10.001 BindingDB Entry DOI: 10.7270/Q2J38TRF
					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	0.400	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	0.600	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	0.600	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	0.700	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
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50194179 (1-(cyclopropyl)methyl-5'-O-tritylinosine | CHEMBL3...) Show SMILES O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]([C@@H]1O)n1cnc2c1ncn(CC1CC1)c2=O Show InChI InChI=1S/C33H32N4O5/c38-28-26(42-32(29(28)39)37-21-34-27-30(37)35-20-36(31(27)40)18-22-16-17-22)19-41-33(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,20-22,26,28-29,32,38-39H,16-19H2/t26-,28-,29-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of human TPase in presence of 100 uM thymidine				J Med Chem 49: 5562-70 (2006) Article DOI: 10.1021/jm0605379 BindingDB Entry DOI: 10.7270/Q2WD4061
					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
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50194181 (1-(cyclohexyl)methyl-5'-O-tritylinosine | CHEMBL21...) Show SMILES O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]([C@@H]1O)n1cnc2c1ncn(CC1CCCCC1)c2=O Show InChI InChI=1S/C36H38N4O5/c41-31-29(22-44-36(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28)45-35(32(31)42)40-24-37-30-33(40)38-23-39(34(30)43)21-25-13-5-1-6-14-25/h2-4,7-12,15-20,23-25,29,31-32,35,41-42H,1,5-6,13-14,21-22H2/t29-,31-,32-,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of human TPase in presence of 100 uM thymidine				J Med Chem 49: 5562-70 (2006) Article DOI: 10.1021/jm0605379 BindingDB Entry DOI: 10.7270/Q2WD4061
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50194173 (5'-O-[(4-chlorophenyl)-1,1-(diphenyl)methyl]inosin...) Show SMILES O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C29H25ClN4O5/c30-21-13-11-20(12-14-21)29(18-7-3-1-4-8-18,19-9-5-2-6-10-19)38-15-22-24(35)25(36)28(39-22)34-17-33-23-26(34)31-16-32-27(23)37/h1-14,16-17,22,24-25,28,35-36H,15H2,(H,31,32,37)/t22-,24-,25-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of human TPase in presence of 100 uM thymidine				J Med Chem 49: 5562-70 (2006) Article DOI: 10.1021/jm0605379 BindingDB Entry DOI: 10.7270/Q2WD4061
					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
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50194174 (1-benzyl-5'-O-tritylinosine | CHEMBL441540) Show SMILES O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]([C@@H]1O)n1cnc2c1ncn(Cc1ccccc1)c2=O Show InChI InChI=1S/C36H32N4O5/c41-31-29(22-44-36(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28)45-35(32(31)42)40-24-37-30-33(40)38-23-39(34(30)43)21-25-13-5-1-6-14-25/h1-20,23-24,29,31-32,35,41-42H,21-22H2/t29-,31-,32-,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of human TPase in presence of 100 uM thymidine				J Med Chem 49: 5562-70 (2006) Article DOI: 10.1021/jm0605379 BindingDB Entry DOI: 10.7270/Q2WD4061
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50194175 (1-allyl-5'-O-tritylinosine | CHEMBL213891) Show SMILES O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]([C@@H]1O)n1cnc2c1ncn(CC=C)c2=O Show InChI InChI=1S/C32H30N4O5/c1-2-18-35-20-34-29-26(30(35)39)33-21-36(29)31-28(38)27(37)25(41-31)19-40-32(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h2-17,20-21,25,27-28,31,37-38H,1,18-19H2/t25-,27-,28-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of human TPase in presence of 100 uM thymidine				J Med Chem 49: 5562-70 (2006) Article DOI: 10.1021/jm0605379 BindingDB Entry DOI: 10.7270/Q2WD4061
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50194170 (1-propyl-5'-O-tritylinosine | CHEMBL213890) Show SMILES CCCn1cnc2n(cnc2c1=O)[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O Show InChI InChI=1S/C32H32N4O5/c1-2-18-35-20-34-29-26(30(35)39)33-21-36(29)31-28(38)27(37)25(41-31)19-40-32(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,20-21,25,27-28,31,37-38H,2,18-19H2,1H3/t25-,27-,28-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of human TPase in presence of 100 uM thymidine				J Med Chem 49: 5562-70 (2006) Article DOI: 10.1021/jm0605379 BindingDB Entry DOI: 10.7270/Q2WD4061
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50194176 (5-amino-1-(5-O-trityl-beta-D-ribofuranosyl)imidazo...) Show SMILES CCCNC(=O)c1ncn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2O)c1N Show InChI InChI=1S/C31H34N4O5/c1-2-18-33-29(38)25-28(32)35(20-34-25)30-27(37)26(36)24(40-30)19-39-31(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24,26-27,30,36-37H,2,18-19,32H2,1H3,(H,33,38)/t24-,26-,27-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of human TPase in presence of 100 uM thymidine				J Med Chem 49: 5562-70 (2006) Article DOI: 10.1021/jm0605379 BindingDB Entry DOI: 10.7270/Q2WD4061
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50194168 (9-((2R,3R,4S,5R)-5-((bis(4-methoxyphenyl)(phenyl)m...) Show SMILES COc1ccc(cc1)C(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc[nH]c2=O)(c1ccccc1)c1ccc(OC)cc1 Show InChI InChI=1S/C31H30N4O7/c1-39-22-12-8-20(9-13-22)31(19-6-4-3-5-7-19,21-10-14-23(40-2)15-11-21)41-16-24-26(36)27(37)30(42-24)35-18-34-25-28(35)32-17-33-29(25)38/h3-15,17-18,24,26-27,30,36-37H,16H2,1-2H3,(H,32,33,38)/t24-,26-,27-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of human TPase in presence of 100 uM thymidine				J Med Chem 49: 5562-70 (2006) Article DOI: 10.1021/jm0605379 BindingDB Entry DOI: 10.7270/Q2WD4061
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50194184 (5-amino-1-(5-O-trityl-beta-D-ribofuranosyl)imidazo...) Show SMILES Nc1c(ncn1[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O)C(=O)NCC1CC1 Show InChI InChI=1S/C32H34N4O5/c33-29-26(30(39)34-18-21-16-17-21)35-20-36(29)31-28(38)27(37)25(41-31)19-40-32(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,20-21,25,27-28,31,37-38H,16-19,33H2,(H,34,39)/t25-,27-,28-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of human TPase in presence of 100 uM thymidine				J Med Chem 49: 5562-70 (2006) Article DOI: 10.1021/jm0605379 BindingDB Entry DOI: 10.7270/Q2WD4061
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50194186 (2',3'-Di-O-acetyl-5'-O-trityl-1-[(2-methoxyethoxy)...) Show SMILES COCCOCn1cnc2n(cnc2c1=O)[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O Show InChI InChI=1S/C37H38N4O9/c1-25(42)48-32-30(21-47-37(27-13-7-4-8-14-27,28-15-9-5-10-16-28)29-17-11-6-12-18-29)50-36(33(32)49-26(2)43)41-23-38-31-34(41)39-22-40(35(31)44)24-46-20-19-45-3/h4-18,22-23,30,32-33,36H,19-21,24H2,1-3H3/t30-,32-,33-,36-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of human TPase in presence of 100 uM thymidine				J Med Chem 49: 5562-70 (2006) Article DOI: 10.1021/jm0605379 BindingDB Entry DOI: 10.7270/Q2WD4061
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50365128 (CHEMBL1949835 | CHEMBL2216906) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2ccc(cc12)N(CC(O)=O)Cc1cc(F)cc(F)c1 Show InChI InChI=1S/C27H28F2N4O4/c1-27(16-36-22-6-3-18(4-7-22)26(30)31)15-32(2)23-12-21(5-8-24(23)37-27)33(14-25(34)35)13-17-9-19(28)11-20(29)10-17/h3-12H,13-16H2,1-2H3,(H3,30,31)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant VEGFR2 expressed in Sf9 insect cells assessed as inhibition of poly(Glu,Tyr) 4:1 substrate phosphorylation by radiome...				Eur J Med Chem 58: 160-70 (2012) Article DOI: 10.1016/j.ejmech.2012.10.001 BindingDB Entry DOI: 10.7270/Q2J38TRF
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50194185 (5-amino-1-(5-O-trityl-beta-D-ribofuranosyl)imidazo...) Show SMILES Nc1c(ncn1[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O)C(=O)NCC=C Show InChI InChI=1S/C31H32N4O5/c1-2-18-33-29(38)25-28(32)35(20-34-25)30-27(37)26(36)24(40-30)19-39-31(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h2-17,20,24,26-27,30,36-37H,1,18-19,32H2,(H,33,38)/t24-,26-,27-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of human TPase in presence of 100 uM thymidine				J Med Chem 49: 5562-70 (2006) Article DOI: 10.1021/jm0605379 BindingDB Entry DOI: 10.7270/Q2WD4061
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50194180 (1-[(E)-3-methoxycarbonyl-2-propenyl]-5'-O-tritylin...) Show SMILES COC(=O)\C=C\Cn1cnc2n(cnc2c1=O)[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O Show InChI InChI=1S/C34H32N4O7/c1-43-27(39)18-11-19-37-21-36-31-28(32(37)42)35-22-38(31)33-30(41)29(40)26(45-33)20-44-34(23-12-5-2-6-13-23,24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-18,21-22,26,29-30,33,40-41H,19-20H2,1H3/b18-11+/t26-,29-,30-,33-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of human TPase in presence of 100 uM thymidine				J Med Chem 49: 5562-70 (2006) Article DOI: 10.1021/jm0605379 BindingDB Entry DOI: 10.7270/Q2WD4061
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50194178 (6-chloro-9-(5-O-trityl-beta-D-ribofuranosyl)purine...) Show SMILES O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]([C@@H]1O)n1cnc2c(Cl)ncnc12 Show InChI InChI=1S/C29H25ClN4O4/c30-26-23-27(32-17-31-26)34(18-33-23)28-25(36)24(35)22(38-28)16-37-29(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18,22,24-25,28,35-36H,16H2/t22-,24-,25-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of human TPase in presence of 100 uM thymidine				J Med Chem 49: 5562-70 (2006) Article DOI: 10.1021/jm0605379 BindingDB Entry DOI: 10.7270/Q2WD4061
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50194172 (5'-O-tritylinosine | CHEMBL386148) Show SMILES O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C29H26N4O5/c34-24-22(38-28(25(24)35)33-18-32-23-26(33)30-17-31-27(23)36)16-37-29(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18,22,24-25,28,34-35H,16H2,(H,30,31,36)/t22-,24-,25-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of human TPase in presence of 100 uM thymidine				J Med Chem 49: 5562-70 (2006) Article DOI: 10.1021/jm0605379 BindingDB Entry DOI: 10.7270/Q2WD4061
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50194189 (9-(5-O-trityl-beta-D-ribofuranosyl)purine | CHEMBL...) Show SMILES O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]([C@@H]1O)n1cnc2cncnc12 Show InChI InChI=1S/C29H26N4O4/c34-25-24(37-28(26(25)35)33-19-32-23-16-30-18-31-27(23)33)17-36-29(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-16,18-19,24-26,28,34-35H,17H2/t24-,25-,26-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of human TPase in presence of 100 uM thymidine				J Med Chem 49: 5562-70 (2006) Article DOI: 10.1021/jm0605379 BindingDB Entry DOI: 10.7270/Q2WD4061
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50194177 (1-methyl-5'-O-tritylinosine | CHEMBL212853) Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O Show InChI InChI=1S/C30H28N4O5/c1-33-18-32-27-24(28(33)37)31-19-34(27)29-26(36)25(35)23(39-29)17-38-30(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,18-19,23,25-26,29,35-36H,17H2,1H3/t23-,25-,26-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of human TPase in presence of 100 uM thymidine				J Med Chem 49: 5562-70 (2006) Article DOI: 10.1021/jm0605379 BindingDB Entry DOI: 10.7270/Q2WD4061
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50194187 (5-amino-1-(5-O-trityl-beta-D-ribofuranosyl)imidazo...) Show SMILES COCCOCNC(=O)c1ncn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2O)c1N Show InChI InChI=1S/C32H36N4O7/c1-40-17-18-41-21-35-30(39)26-29(33)36(20-34-26)31-28(38)27(37)25(43-31)19-42-32(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,20,25,27-28,31,37-38H,17-19,21,33H2,1H3,(H,35,39)/t25-,27-,28-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of human TPase in presence of 100 uM thymidine				J Med Chem 49: 5562-70 (2006) Article DOI: 10.1021/jm0605379 BindingDB Entry DOI: 10.7270/Q2WD4061
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50349611 (CHEMBL1808951 | CHEMBL2216905) Show SMILES CCOC(=O)C(=O)N(Cc1cccc(F)c1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C29H31FN4O5/c1-4-37-28(36)27(35)34(16-19-6-5-7-21(30)14-19)22-10-13-25-24(15-22)33(3)17-29(2,39-25)18-38-23-11-8-20(9-12-23)26(31)32/h5-15H,4,16-18H2,1-3H3,(H3,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant VEGFR2 expressed in Sf9 insect cells assessed as inhibition of poly(Glu,Tyr) 4:1 substrate phosphorylation by radiome...				Eur J Med Chem 58: 160-70 (2012) Article DOI: 10.1016/j.ejmech.2012.10.001 BindingDB Entry DOI: 10.7270/Q2J38TRF
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50194188 (5'-O-trityl-2'deoxyinosine | CHEMBL209655) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C29H26N4O4/c34-23-16-25(33-19-32-26-27(33)30-18-31-28(26)35)37-24(23)17-36-29(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19,23-25,34H,16-17H2,(H,30,31,35)/t23-,24+,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of human TPase in presence of 100 uM thymidine				J Med Chem 49: 5562-70 (2006) Article DOI: 10.1021/jm0605379 BindingDB Entry DOI: 10.7270/Q2WD4061
					More data for this Ligand-Target Pair

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