Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50001276   

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)	BDBM18771 ((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...) Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Binding affinity against Thymidylate synthase was measured in vitro				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50006687 ((S)-2-(4-(((2-methyl-4-oxo-3,4-dihydroquinazolin-6...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H24N4O6/c1-3-12-29(14-16-4-9-20-19(13-16)24(33)27-15(2)26-20)18-7-5-17(6-8-18)23(32)28-21(25(34)35)10-11-22(30)31/h1,4-9,13,21H,10-12,14H2,2H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Binding affinity against Thymidylate synthase was measured in vitro				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014480 ((S)-2-(4-(((4-oxo-3,4-dihydroquinazolin-6-yl)methy...) Show SMILES OC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc[nH]c(=O)c2c1)C(O)=O Show InChI InChI=1S/C24H22N4O6/c1-2-11-28(13-15-3-8-19-18(12-15)23(32)26-14-25-19)17-6-4-16(5-7-17)22(31)27-20(24(33)34)9-10-21(29)30/h1,3-8,12,14,20H,9-11,13H2,(H,27,31)(H,29,30)(H,33,34)(H,25,26,32)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18771 ((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...) Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase in rat liver				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50014480 ((S)-2-(4-(((4-oxo-3,4-dihydroquinazolin-6-yl)methy...) Show SMILES OC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc[nH]c(=O)c2c1)C(O)=O Show InChI InChI=1S/C24H22N4O6/c1-2-11-28(13-15-3-8-19-18(12-15)23(32)26-14-25-19)17-6-4-16(5-7-17)22(31)27-20(24(33)34)9-10-21(29)30/h1,3-8,12,14,20H,9-11,13H2,(H,27,31)(H,29,30)(H,33,34)(H,25,26,32)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase in rat liver				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50006687 ((S)-2-(4-(((2-methyl-4-oxo-3,4-dihydroquinazolin-6...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H24N4O6/c1-3-12-29(14-16-4-9-20-19(13-16)24(33)27-15(2)26-20)18-7-5-17(6-8-18)23(32)28-21(25(34)35)10-11-22(30)31/h1,4-9,13,21H,10-12,14H2,2H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>2.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase in rat liver				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM18771 ((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...) Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50006687 ((S)-2-(4-(((2-methyl-4-oxo-3,4-dihydroquinazolin-6...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H24N4O6/c1-3-12-29(14-16-4-9-20-19(13-16)24(33)27-15(2)26-20)18-7-5-17(6-8-18)23(32)28-21(25(34)35)10-11-22(30)31/h1,4-9,13,21H,10-12,14H2,2H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Binding affinity against Thymidylate synthase was measured in vitro				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014485 ((S)-2-(4-(((2-(hydroxymethyl)-4-oxo-3,4-dihydroqui...) Show SMILES OCc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H24N4O7/c1-2-11-29(13-15-3-8-19-18(12-15)24(34)28-21(14-30)26-19)17-6-4-16(5-7-17)23(33)27-20(25(35)36)9-10-22(31)32/h1,3-8,12,20,30H,9-11,13-14H2,(H,27,33)(H,31,32)(H,35,36)(H,26,28,34)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014477 ((S)-2-(4-(((2-(fluoromethyl)-4-oxo-3,4-dihydroquin...) Show SMILES OC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(CF)[nH]c(=O)c2c1)C(O)=O Show InChI InChI=1S/C25H23FN4O6/c1-2-11-30(14-15-3-8-19-18(12-15)24(34)29-21(13-26)27-19)17-6-4-16(5-7-17)23(33)28-20(25(35)36)9-10-22(31)32/h1,3-8,12,20H,9-11,13-14H2,(H,28,33)(H,31,32)(H,35,36)(H,27,29,34)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014476 ((S)-2-(4-(((2-ethyl-4-oxo-3,4-dihydroquinazolin-6-...) Show SMILES CCc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C26H26N4O6/c1-3-13-30(15-16-5-10-20-19(14-16)25(34)29-22(4-2)27-20)18-8-6-17(7-9-18)24(33)28-21(26(35)36)11-12-23(31)32/h1,5-10,14,21H,4,11-13,15H2,2H3,(H,28,33)(H,31,32)(H,35,36)(H,27,29,34)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014480 ((S)-2-(4-(((4-oxo-3,4-dihydroquinazolin-6-yl)methy...) Show SMILES OC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc[nH]c(=O)c2c1)C(O)=O Show InChI InChI=1S/C24H22N4O6/c1-2-11-28(13-15-3-8-19-18(12-15)23(32)26-14-25-19)17-6-4-16(5-7-17)22(31)27-20(24(33)34)9-10-21(29)30/h1,3-8,12,14,20H,9-11,13H2,(H,27,31)(H,29,30)(H,33,34)(H,25,26,32)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50012045 ((S)-2-(4-(ethyl((2-methyl-4-oxo-3,4-dihydroquinazo...) Show SMILES CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C24H26N4O6/c1-3-28(13-15-4-9-19-18(12-15)23(32)26-14(2)25-19)17-7-5-16(6-8-17)22(31)27-20(24(33)34)10-11-21(29)30/h4-9,12,20H,3,10-11,13H2,1-2H3,(H,27,31)(H,29,30)(H,33,34)(H,25,26,32)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014470 ((S)-2-(4-(((4-oxo-2-phenyl-3,4-dihydroquinazolin-6...) Show SMILES OC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc([nH]c(=O)c2c1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C30H26N4O6/c1-2-16-34(22-11-9-21(10-12-22)28(37)32-25(30(39)40)14-15-26(35)36)18-19-8-13-24-23(17-19)29(38)33-27(31-24)20-6-4-3-5-7-20/h1,3-13,17,25H,14-16,18H2,(H,32,37)(H,35,36)(H,39,40)(H,31,33,38)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014483 ((S)-2-(4-((2-fluoroethyl)((2-(hydroxymethyl)-4-oxo...) Show SMILES OCc1nc2ccc(CN(CCF)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H25FN4O7/c25-9-10-29(12-14-1-6-18-17(11-14)23(34)28-20(13-30)26-18)16-4-2-15(3-5-16)22(33)27-19(24(35)36)7-8-21(31)32/h1-6,11,19,30H,7-10,12-13H2,(H,27,33)(H,31,32)(H,35,36)(H,26,28,34)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014479 ((S)-2-(4-(((4-oxo-2-((pyrimidin-2-ylthio)methyl)-3...) Show SMILES OC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(CSc3ncccn3)[nH]c(=O)c2c1)C(O)=O Show InChI InChI=1S/C29H26N6O6S/c1-2-14-35(20-7-5-19(6-8-20)26(38)33-23(28(40)41)10-11-25(36)37)16-18-4-9-22-21(15-18)27(39)34-24(32-22)17-42-29-30-12-3-13-31-29/h1,3-9,12-13,15,23H,10-11,14,16-17H2,(H,33,38)(H,36,37)(H,40,41)(H,32,34,39)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014473 ((S)-2-(4-((2-fluoroethyl)((2-methyl-4-oxo-3,4-dihy...) Show SMILES Cc1nc2ccc(CN(CCF)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H25FN4O6/c1-14-26-19-7-2-15(12-18(19)23(33)27-14)13-29(11-10-25)17-5-3-16(4-6-17)22(32)28-20(24(34)35)8-9-21(30)31/h2-7,12,20H,8-11,13H2,1H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014489 ((S)-2-(4-(ethyl((2-(hydroxymethyl)-4-oxo-3,4-dihyd...) Show SMILES CCN(Cc1ccc2nc(CO)[nH]c(=O)c2c1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C24H26N4O7/c1-2-28(12-14-3-8-18-17(11-14)23(33)27-20(13-29)25-18)16-6-4-15(5-7-16)22(32)26-19(24(34)35)9-10-21(30)31/h3-8,11,19,29H,2,9-10,12-13H2,1H3,(H,26,32)(H,30,31)(H,34,35)(H,25,27,33)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50006691 ((S)-2-(4-(methyl((2-methyl-4-oxo-3,4-dihydroquinaz...) Show SMILES CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C23H24N4O6/c1-13-24-18-8-3-14(11-17(18)22(31)25-13)12-27(2)16-6-4-15(5-7-16)21(30)26-19(23(32)33)9-10-20(28)29/h3-8,11,19H,9-10,12H2,1-2H3,(H,26,30)(H,28,29)(H,32,33)(H,24,25,31)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014492 ((S)-2-(4-((2-fluoroethyl)((2-(fluoromethyl)-4-oxo-...) Show SMILES OC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CCF)Cc1ccc2nc(CF)[nH]c(=O)c2c1)C(O)=O Show InChI InChI=1S/C24H24F2N4O6/c25-9-10-30(13-14-1-6-18-17(11-14)23(34)29-20(12-26)27-18)16-4-2-15(3-5-16)22(33)28-19(24(35)36)7-8-21(31)32/h1-6,11,19H,7-10,12-13H2,(H,28,33)(H,31,32)(H,35,36)(H,27,29,34)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014493 ((S)-2-(4-(ethyl((2-(fluoromethyl)-4-oxo-3,4-dihydr...) Show SMILES CCN(Cc1ccc2nc(CF)[nH]c(=O)c2c1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C24H25FN4O6/c1-2-29(13-14-3-8-18-17(11-14)23(33)28-20(12-25)26-18)16-6-4-15(5-7-16)22(32)27-19(24(34)35)9-10-21(30)31/h3-8,11,19H,2,9-10,12-13H2,1H3,(H,27,32)(H,30,31)(H,34,35)(H,26,28,33)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014481 ((S)-2-(4-(allyl((2-methyl-4-oxo-3,4-dihydroquinazo...) Show SMILES Cc1nc2ccc(CN(CC=C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H26N4O6/c1-3-12-29(14-16-4-9-20-19(13-16)24(33)27-15(2)26-20)18-7-5-17(6-8-18)23(32)28-21(25(34)35)10-11-22(30)31/h3-9,13,21H,1,10-12,14H2,2H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014488 ((S)-2-(4-(((2-(acetamidomethyl)-4-oxo-3,4-dihydroq...) Show SMILES CC(=O)NCc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C27H27N5O7/c1-3-12-32(15-17-4-9-21-20(13-17)26(37)31-23(29-21)14-28-16(2)33)19-7-5-18(6-8-19)25(36)30-22(27(38)39)10-11-24(34)35/h1,4-9,13,22H,10-12,14-15H2,2H3,(H,28,33)(H,30,36)(H,34,35)(H,38,39)(H,29,31,37)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014486 ((S)-2-(4-((2-hydroxyethyl)((2-methyl-4-oxo-3,4-dih...) Show SMILES Cc1nc2ccc(CN(CCO)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H26N4O7/c1-14-25-19-7-2-15(12-18(19)23(33)26-14)13-28(10-11-29)17-5-3-16(4-6-17)22(32)27-20(24(34)35)8-9-21(30)31/h2-7,12,20,29H,8-11,13H2,1H3,(H,27,32)(H,30,31)(H,34,35)(H,25,26,33)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014469 ((S)-2-(4-((3-hydroxypropyl)((2-methyl-4-oxo-3,4-di...) Show SMILES Cc1nc2ccc(CN(CCCO)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H28N4O7/c1-15-26-20-8-3-16(13-19(20)24(34)27-15)14-29(11-2-12-30)18-6-4-17(5-7-18)23(33)28-21(25(35)36)9-10-22(31)32/h3-8,13,21,30H,2,9-12,14H2,1H3,(H,28,33)(H,31,32)(H,35,36)(H,26,27,34)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014491 (2-{4-[(2-Difluoromethyl-4-oxo-3,4-dihydro-quinazol...) Show SMILES OC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc([nH]c(=O)c2c1)C(F)F)C(O)=O Show InChI InChI=1S/C25H22F2N4O6/c1-2-11-31(13-14-3-8-18-17(12-14)24(35)30-22(28-18)21(26)27)16-6-4-15(5-7-16)23(34)29-19(25(36)37)9-10-20(32)33/h1,3-8,12,19,21H,9-11,13H2,(H,29,34)(H,32,33)(H,36,37)(H,28,30,35)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014467 ((S)-2-(4-(((2-isopropyl-4-oxo-3,4-dihydroquinazoli...) Show SMILES CC(C)c1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C27H28N4O6/c1-4-13-31(15-17-5-10-21-20(14-17)26(35)30-24(28-21)16(2)3)19-8-6-18(7-9-19)25(34)29-22(27(36)37)11-12-23(32)33/h1,5-10,14,16,22H,11-13,15H2,2-3H3,(H,29,34)(H,32,33)(H,36,37)(H,28,30,35)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014490 ((S)-2-(4-(((2-(hydroxymethyl)-4-oxo-3,4-dihydroqui...) Show SMILES CN(Cc1ccc2nc(CO)[nH]c(=O)c2c1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C23H24N4O7/c1-27(11-13-2-7-17-16(10-13)22(32)26-19(12-28)24-17)15-5-3-14(4-6-15)21(31)25-18(23(33)34)8-9-20(29)30/h2-7,10,18,28H,8-9,11-12H2,1H3,(H,25,31)(H,29,30)(H,33,34)(H,24,26,32)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014466 ((S)-2-(4-((2-hydroxyethyl)((2-(hydroxymethyl)-4-ox...) Show SMILES OCCN(Cc1ccc2nc(CO)[nH]c(=O)c2c1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C24H26N4O8/c29-10-9-28(12-14-1-6-18-17(11-14)23(34)27-20(13-30)25-18)16-4-2-15(3-5-16)22(33)26-19(24(35)36)7-8-21(31)32/h1-6,11,19,29-30H,7-10,12-13H2,(H,26,33)(H,31,32)(H,35,36)(H,25,27,34)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014482 ((S)-2-(4-(allyl((2-(hydroxymethyl)-4-oxo-3,4-dihyd...) Show SMILES OCc1nc2ccc(CN(CC=C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H26N4O7/c1-2-11-29(13-15-3-8-19-18(12-15)24(34)28-21(14-30)26-19)17-6-4-16(5-7-17)23(33)27-20(25(35)36)9-10-22(31)32/h2-8,12,20,30H,1,9-11,13-14H2,(H,27,33)(H,31,32)(H,35,36)(H,26,28,34)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014474 ((S)-2-(4-((2-bromoethyl)((2-methyl-4-oxo-3,4-dihyd...) Show SMILES Cc1nc2ccc(CN(CCBr)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H25BrN4O6/c1-14-26-19-7-2-15(12-18(19)23(33)27-14)13-29(11-10-25)17-5-3-16(4-6-17)22(32)28-20(24(34)35)8-9-21(30)31/h2-7,12,20H,8-11,13H2,1H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)/t20-/m0/s1	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
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014468 ((S)-2-(4-((2-mercaptoethyl)((2-methyl-4-oxo-3,4-di...) Show SMILES Cc1nc2ccc(CN(CCS)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H26N4O6S/c1-14-25-19-7-2-15(12-18(19)23(32)26-14)13-28(10-11-35)17-5-3-16(4-6-17)22(31)27-20(24(33)34)8-9-21(29)30/h2-7,12,20,35H,8-11,13H2,1H3,(H,27,31)(H,29,30)(H,33,34)(H,25,26,32)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014475 ((S)-2-(4-(((2-(fluoromethyl)-4-oxo-3,4-dihydroquin...) Show SMILES CN(Cc1ccc2nc(CF)[nH]c(=O)c2c1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C23H23FN4O6/c1-28(12-13-2-7-17-16(10-13)22(32)27-19(11-24)25-17)15-5-3-14(4-6-15)21(31)26-18(23(33)34)8-9-20(29)30/h2-7,10,18H,8-9,11-12H2,1H3,(H,26,31)(H,29,30)(H,33,34)(H,25,27,32)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50012516 ((S)-2-(4-((2-methyl-4-oxo-3,4-dihydroquinazolin-6-...) Show SMILES Cc1nc2ccc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C22H22N4O6/c1-12-24-17-7-2-13(10-16(17)21(30)25-12)11-23-15-5-3-14(4-6-15)20(29)26-18(22(31)32)8-9-19(27)28/h2-7,10,18,23H,8-9,11H2,1H3,(H,26,29)(H,27,28)(H,31,32)(H,24,25,30)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014471 ((S)-2-(4-(((4-oxo-2-(trifluoromethyl)-3,4-dihydroq...) Show SMILES OC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc([nH]c(=O)c2c1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C25H21F3N4O6/c1-2-11-32(13-14-3-8-18-17(12-14)22(36)31-24(30-18)25(26,27)28)16-6-4-15(5-7-16)21(35)29-19(23(37)38)9-10-20(33)34/h1,3-8,12,19H,9-11,13H2,(H,29,35)(H,33,34)(H,37,38)(H,30,31,36)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014478 ((S)-2-(4-((3-methoxypropyl)((2-methyl-4-oxo-3,4-di...) Show SMILES COCCCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C26H30N4O7/c1-16-27-21-9-4-17(14-20(21)25(34)28-16)15-30(12-3-13-37-2)19-7-5-18(6-8-19)24(33)29-22(26(35)36)10-11-23(31)32/h4-9,14,22H,3,10-13,15H2,1-2H3,(H,29,33)(H,31,32)(H,35,36)(H,27,28,34)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014484 ((S)-2-(4-((2-methoxyethyl)((2-methyl-4-oxo-3,4-dih...) Show SMILES COCCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C25H28N4O7/c1-15-26-20-8-3-16(13-19(20)24(33)27-15)14-29(11-12-36-2)18-6-4-17(5-7-18)23(32)28-21(25(34)35)9-10-22(30)31/h3-8,13,21H,9-12,14H2,1-2H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014472 ((S)-2-(4-((2-ethyl-4-oxo-3,4-dihydroquinazolin-6-y...) Show SMILES CCc1nc2ccc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C23H24N4O6/c1-2-19-25-17-8-3-13(11-16(17)22(31)27-19)12-24-15-6-4-14(5-7-15)21(30)26-18(23(32)33)9-10-20(28)29/h3-8,11,18,24H,2,9-10,12H2,1H3,(H,26,30)(H,28,29)(H,32,33)(H,25,27,31)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50014487 ((S)-2-(4-(((2-methyl-4-oxo-3,4-dihydroquinazolin-6...) Show SMILES CC(=O)CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C25H26N4O7/c1-14(30)12-29(13-16-3-8-20-19(11-16)24(34)27-15(2)26-20)18-6-4-17(5-7-18)23(33)28-21(25(35)36)9-10-22(31)32/h3-8,11,21H,9-10,12-13H2,1-2H3,(H,28,33)(H,31,32)(H,35,36)(H,26,27,34)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
ICI Pharmaceuticals Mereside Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of thymidylate synthase				J Med Chem 33: 3060-7 (1990) BindingDB Entry DOI: 10.7270/Q2ZW1JWX
					More data for this Ligand-Target Pair