Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50006990   

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 (Homo sapiens (Human))	BDBM50011244 (6-{[(4-Benzenesulfonyl-phenyl)-prop-2-ynyl-amino]-...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H21N3O3S/c1-3-15-28(17-19-9-14-24-23(16-19)25(29)27-18(2)26-24)20-10-12-22(13-11-20)32(30,31)21-7-5-4-6-8-21/h1,4-14,16H,15,17H2,2H3,(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant human thymidylate synthase				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50011244 (6-{[(4-Benzenesulfonyl-phenyl)-prop-2-ynyl-amino]-...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H21N3O3S/c1-3-15-28(17-19-9-14-24-23(16-19)25(29)27-18(2)26-24)20-10-12-22(13-11-20)32(30,31)21-7-5-4-6-8-21/h1,4-14,16H,15,17H2,2H3,(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant human thymidylate synthase				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056521 (6-{[(4-Benzenesulfonyl-3-fluoro-phenyl)-prop-2-yny...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(F)c3)S(=O)(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H20FN3O3S/c1-3-13-29(16-18-9-11-23-21(14-18)25(30)28-17(2)27-23)19-10-12-24(22(26)15-19)33(31,32)20-7-5-4-6-8-20/h1,4-12,14-15H,13,16H2,2H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant human thymidylate synthase				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056516 (6-({[4-(2-Chloro-benzenesulfonyl)-phenyl]-prop-2-y...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)(=O)c3ccccc3Cl)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H20ClN3O3S/c1-3-14-29(16-18-8-13-23-21(15-18)25(30)28-17(2)27-23)19-9-11-20(12-10-19)33(31,32)24-7-5-4-6-22(24)26/h1,4-13,15H,14,16H2,2H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant human thymidylate synthase				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056519 (6-{[(4-Benzenesulfonyl-3-chloro-phenyl)-prop-2-yny...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(Cl)c3)S(=O)(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H20ClN3O3S/c1-3-13-29(16-18-9-11-23-21(14-18)25(30)28-17(2)27-23)19-10-12-24(22(26)15-19)33(31,32)20-7-5-4-6-8-20/h1,4-12,14-15H,13,16H2,2H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant human thymidylate synthase				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50011244 (6-{[(4-Benzenesulfonyl-phenyl)-prop-2-ynyl-amino]-...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H21N3O3S/c1-3-15-28(17-19-9-14-24-23(16-19)25(29)27-18(2)26-24)20-10-12-22(13-11-20)32(30,31)21-7-5-4-6-8-21/h1,4-14,16H,15,17H2,2H3,(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant thymidylate synthase in E. coli				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056520 (2-Methyl-6-({prop-2-ynyl-[4-(toluene-2-sulfonyl)-p...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)(=O)c3ccccc3C)cc2c(=O)[nH]1 Show InChI InChI=1S/C26H23N3O3S/c1-4-15-29(17-20-9-14-24-23(16-20)26(30)28-19(3)27-24)21-10-12-22(13-11-21)33(31,32)25-8-6-5-7-18(25)2/h1,5-14,16H,15,17H2,2-3H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant human thymidylate synthase				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056518 (6-{[(4-Benzenesulfinyl-3-chloro-phenyl)-prop-2-yny...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(Cl)c3)S(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H20ClN3O2S/c1-3-13-29(16-18-9-11-23-21(14-18)25(30)28-17(2)27-23)19-10-12-24(22(26)15-19)32(31)20-7-5-4-6-8-20/h1,4-12,14-15H,13,16H2,2H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant human thymidylate synthase				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056518 (6-{[(4-Benzenesulfinyl-3-chloro-phenyl)-prop-2-yny...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(Cl)c3)S(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H20ClN3O2S/c1-3-13-29(16-18-9-11-23-21(14-18)25(30)28-17(2)27-23)19-10-12-24(22(26)15-19)32(31)20-7-5-4-6-8-20/h1,4-12,14-15H,13,16H2,2H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant human thymidylate synthase				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056516 (6-({[4-(2-Chloro-benzenesulfonyl)-phenyl]-prop-2-y...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)(=O)c3ccccc3Cl)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H20ClN3O3S/c1-3-14-29(16-18-8-13-23-21(15-18)25(30)28-17(2)27-23)19-9-11-20(12-10-19)33(31,32)24-7-5-4-6-22(24)26/h1,4-13,15H,14,16H2,2H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant thymidylate synthase in E. coli				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056519 (6-{[(4-Benzenesulfonyl-3-chloro-phenyl)-prop-2-yny...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(Cl)c3)S(=O)(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H20ClN3O3S/c1-3-13-29(16-18-9-11-23-21(14-18)25(30)28-17(2)27-23)19-10-12-24(22(26)15-19)33(31,32)20-7-5-4-6-8-20/h1,4-12,14-15H,13,16H2,2H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant thymidylate synthase in E. coli				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056516 (6-({[4-(2-Chloro-benzenesulfonyl)-phenyl]-prop-2-y...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)(=O)c3ccccc3Cl)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H20ClN3O3S/c1-3-14-29(16-18-8-13-23-21(15-18)25(30)28-17(2)27-23)19-9-11-20(12-10-19)33(31,32)24-7-5-4-6-22(24)26/h1,4-13,15H,14,16H2,2H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant thymidylate synthase in E. coli				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056519 (6-{[(4-Benzenesulfonyl-3-chloro-phenyl)-prop-2-yny...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(Cl)c3)S(=O)(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H20ClN3O3S/c1-3-13-29(16-18-9-11-23-21(14-18)25(30)28-17(2)27-23)19-10-12-24(22(26)15-19)33(31,32)20-7-5-4-6-8-20/h1,4-12,14-15H,13,16H2,2H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant thymidylate synthase in E. coli				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50012245 (6-{[(4-Benzenesulfonyl-3-trifluoromethyl-phenyl)-p...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(c3)C(F)(F)F)S(=O)(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C26H20F3N3O3S/c1-3-13-32(16-18-9-11-23-21(14-18)25(33)31-17(2)30-23)19-10-12-24(22(15-19)26(27,28)29)36(34,35)20-7-5-4-6-8-20/h1,4-12,14-15H,13,16H2,2H3,(H,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant thymidylate synthase in E. coli				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056521 (6-{[(4-Benzenesulfonyl-3-fluoro-phenyl)-prop-2-yny...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(F)c3)S(=O)(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H20FN3O3S/c1-3-13-29(16-18-9-11-23-21(14-18)25(30)28-17(2)27-23)19-10-12-24(22(26)15-19)33(31,32)20-7-5-4-6-8-20/h1,4-12,14-15H,13,16H2,2H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant thymidylate synthase in E. coli				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056521 (6-{[(4-Benzenesulfonyl-3-fluoro-phenyl)-prop-2-yny...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(F)c3)S(=O)(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H20FN3O3S/c1-3-13-29(16-18-9-11-23-21(14-18)25(30)28-17(2)27-23)19-10-12-24(22(26)15-19)33(31,32)20-7-5-4-6-8-20/h1,4-12,14-15H,13,16H2,2H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant thymidylate synthase in E. coli				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056523 (2-Methyl-6-({prop-2-ynyl-[4-(toluene-2-sulfinyl)-p...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)c3ccccc3C)cc2c(=O)[nH]1 Show InChI InChI=1S/C26H23N3O2S/c1-4-15-29(17-20-9-14-24-23(16-20)26(30)28-19(3)27-24)21-10-12-22(13-11-21)32(31)25-8-6-5-7-18(25)2/h1,5-14,16H,15,17H2,2-3H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant human thymidylate synthase				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056523 (2-Methyl-6-({prop-2-ynyl-[4-(toluene-2-sulfinyl)-p...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)c3ccccc3C)cc2c(=O)[nH]1 Show InChI InChI=1S/C26H23N3O2S/c1-4-15-29(17-20-9-14-24-23(16-20)26(30)28-19(3)27-24)21-10-12-22(13-11-21)32(31)25-8-6-5-7-18(25)2/h1,5-14,16H,15,17H2,2-3H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant human thymidylate synthase				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056515 (6-({[4-(2-Chloro-benzenesulfinyl)-phenyl]-prop-2-y...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)c3ccccc3Cl)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H20ClN3O2S/c1-3-14-29(16-18-8-13-23-21(15-18)25(30)28-17(2)27-23)19-9-11-20(12-10-19)32(31)24-7-5-4-6-22(24)26/h1,4-13,15H,14,16H2,2H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant human thymidylate synthase				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056515 (6-({[4-(2-Chloro-benzenesulfinyl)-phenyl]-prop-2-y...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)c3ccccc3Cl)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H20ClN3O2S/c1-3-14-29(16-18-8-13-23-21(15-18)25(30)28-17(2)27-23)19-9-11-20(12-10-19)32(31)24-7-5-4-6-22(24)26/h1,4-13,15H,14,16H2,2H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant human thymidylate synthase				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50012245 (6-{[(4-Benzenesulfonyl-3-trifluoromethyl-phenyl)-p...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(c3)C(F)(F)F)S(=O)(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C26H20F3N3O3S/c1-3-13-32(16-18-9-11-23-21(14-18)25(33)31-17(2)30-23)19-10-12-24(22(15-19)26(27,28)29)36(34,35)20-7-5-4-6-8-20/h1,4-12,14-15H,13,16H2,2H3,(H,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant human thymidylate synthase				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056514 (6-{[(4-Benzenesulfinyl-3-fluoro-phenyl)-prop-2-yny...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(F)c3)S(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H20FN3O2S/c1-3-13-29(16-18-9-11-23-21(14-18)25(30)28-17(2)27-23)19-10-12-24(22(26)15-19)32(31)20-7-5-4-6-8-20/h1,4-12,14-15H,13,16H2,2H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant human thymidylate synthase				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056518 (6-{[(4-Benzenesulfinyl-3-chloro-phenyl)-prop-2-yny...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(Cl)c3)S(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H20ClN3O2S/c1-3-13-29(16-18-9-11-23-21(14-18)25(30)28-17(2)27-23)19-10-12-24(22(26)15-19)32(31)20-7-5-4-6-8-20/h1,4-12,14-15H,13,16H2,2H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant thymidylate synthase in E. coli				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056520 (2-Methyl-6-({prop-2-ynyl-[4-(toluene-2-sulfonyl)-p...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)(=O)c3ccccc3C)cc2c(=O)[nH]1 Show InChI InChI=1S/C26H23N3O3S/c1-4-15-29(17-20-9-14-24-23(16-20)26(30)28-19(3)27-24)21-10-12-22(13-11-21)33(31,32)25-8-6-5-7-18(25)2/h1,5-14,16H,15,17H2,2-3H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant thymidylate synthase in E. coli				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056520 (2-Methyl-6-({prop-2-ynyl-[4-(toluene-2-sulfonyl)-p...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)(=O)c3ccccc3C)cc2c(=O)[nH]1 Show InChI InChI=1S/C26H23N3O3S/c1-4-15-29(17-20-9-14-24-23(16-20)26(30)28-19(3)27-24)21-10-12-22(13-11-21)33(31,32)25-8-6-5-7-18(25)2/h1,5-14,16H,15,17H2,2-3H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant thymidylate synthase in E. coli				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50049941 (6-{[(4-Benzenesulfinyl-phenyl)-prop-2-ynyl-amino]-...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H21N3O2S/c1-3-15-28(17-19-9-14-24-23(16-19)25(29)27-18(2)26-24)20-10-12-22(13-11-20)31(30)21-7-5-4-6-8-21/h1,4-14,16H,15,17H2,2H3,(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant human thymidylate synthase				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056522 (6-{[(4-Benzenesulfinyl-3-trifluoromethyl-phenyl)-p...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(c3)C(F)(F)F)S(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C26H20F3N3O2S/c1-3-13-32(16-18-9-11-23-21(14-18)25(33)31-17(2)30-23)19-10-12-24(22(15-19)26(27,28)29)35(34)20-7-5-4-6-8-20/h1,4-12,14-15H,13,16H2,2H3,(H,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant human thymidylate synthase				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056522 (6-{[(4-Benzenesulfinyl-3-trifluoromethyl-phenyl)-p...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(c3)C(F)(F)F)S(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C26H20F3N3O2S/c1-3-13-32(16-18-9-11-23-21(14-18)25(33)31-17(2)30-23)19-10-12-24(22(15-19)26(27,28)29)35(34)20-7-5-4-6-8-20/h1,4-12,14-15H,13,16H2,2H3,(H,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant human thymidylate synthase				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056514 (6-{[(4-Benzenesulfinyl-3-fluoro-phenyl)-prop-2-yny...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(F)c3)S(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H20FN3O2S/c1-3-13-29(16-18-9-11-23-21(14-18)25(30)28-17(2)27-23)19-10-12-24(22(26)15-19)32(31)20-7-5-4-6-8-20/h1,4-12,14-15H,13,16H2,2H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant thymidylate synthase in E. coli				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056514 (6-{[(4-Benzenesulfinyl-3-fluoro-phenyl)-prop-2-yny...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(F)c3)S(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H20FN3O2S/c1-3-13-29(16-18-9-11-23-21(14-18)25(30)28-17(2)27-23)19-10-12-24(22(26)15-19)32(31)20-7-5-4-6-8-20/h1,4-12,14-15H,13,16H2,2H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant thymidylate synthase in E. coli				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056522 (6-{[(4-Benzenesulfinyl-3-trifluoromethyl-phenyl)-p...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(c3)C(F)(F)F)S(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C26H20F3N3O2S/c1-3-13-32(16-18-9-11-23-21(14-18)25(33)31-17(2)30-23)19-10-12-24(22(15-19)26(27,28)29)35(34)20-7-5-4-6-8-20/h1,4-12,14-15H,13,16H2,2H3,(H,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant thymidylate synthase in E. coli				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056517 (2-Methyl-6-({prop-2-ynyl-[4-(toluene-2-sulfonyl)-3...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(c3)C(F)(F)F)S(=O)(=O)c3ccccc3C)cc2c(=O)[nH]1 Show InChI InChI=1S/C27H22F3N3O3S/c1-4-13-33(16-19-9-11-23-21(14-19)26(34)32-18(3)31-23)20-10-12-25(22(15-20)27(28,29)30)37(35,36)24-8-6-5-7-17(24)2/h1,5-12,14-15H,13,16H2,2-3H3,(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant human thymidylate synthase				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50049941 (6-{[(4-Benzenesulfinyl-phenyl)-prop-2-ynyl-amino]-...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H21N3O2S/c1-3-15-28(17-19-9-14-24-23(16-19)25(29)27-18(2)26-24)20-10-12-22(13-11-20)31(30)21-7-5-4-6-8-21/h1,4-14,16H,15,17H2,2H3,(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant thymidylate synthase in E. coli				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056517 (2-Methyl-6-({prop-2-ynyl-[4-(toluene-2-sulfonyl)-3...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(c3)C(F)(F)F)S(=O)(=O)c3ccccc3C)cc2c(=O)[nH]1 Show InChI InChI=1S/C27H22F3N3O3S/c1-4-13-33(16-19-9-11-23-21(14-19)26(34)32-18(3)31-23)20-10-12-25(22(15-20)27(28,29)30)37(35,36)24-8-6-5-7-17(24)2/h1,5-12,14-15H,13,16H2,2-3H3,(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant thymidylate synthase in E. coli				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056517 (2-Methyl-6-({prop-2-ynyl-[4-(toluene-2-sulfonyl)-3...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(c3)C(F)(F)F)S(=O)(=O)c3ccccc3C)cc2c(=O)[nH]1 Show InChI InChI=1S/C27H22F3N3O3S/c1-4-13-33(16-19-9-11-23-21(14-19)26(34)32-18(3)31-23)20-10-12-25(22(15-20)27(28,29)30)37(35,36)24-8-6-5-7-17(24)2/h1,5-12,14-15H,13,16H2,2-3H3,(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant thymidylate synthase in E. coli				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50049941 (6-{[(4-Benzenesulfinyl-phenyl)-prop-2-ynyl-amino]-...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)c3ccccc3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H21N3O2S/c1-3-15-28(17-19-9-14-24-23(16-19)25(29)27-18(2)26-24)20-10-12-22(13-11-20)31(30)21-7-5-4-6-8-21/h1,4-14,16H,15,17H2,2H3,(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant thymidylate synthase in E. coli				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056515 (6-({[4-(2-Chloro-benzenesulfinyl)-phenyl]-prop-2-y...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)c3ccccc3Cl)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H20ClN3O2S/c1-3-14-29(16-18-8-13-23-21(15-18)25(30)28-17(2)27-23)19-9-11-20(12-10-19)32(31)24-7-5-4-6-22(24)26/h1,4-13,15H,14,16H2,2H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant thymidylate synthase in E. coli				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056523 (2-Methyl-6-({prop-2-ynyl-[4-(toluene-2-sulfinyl)-p...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)c3ccccc3C)cc2c(=O)[nH]1 Show InChI InChI=1S/C26H23N3O2S/c1-4-15-29(17-20-9-14-24-23(16-20)26(30)28-19(3)27-24)21-10-12-22(13-11-21)32(31)25-8-6-5-7-18(25)2/h1,5-14,16H,15,17H2,2-3H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant thymidylate synthase in E. coli				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056524 (2-Methyl-6-({prop-2-ynyl-[4-(toluene-2-sulfinyl)-3...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(c3)C(F)(F)F)S(=O)c3ccccc3C)cc2c(=O)[nH]1 Show InChI InChI=1S/C27H22F3N3O2S/c1-4-13-33(16-19-9-11-23-21(14-19)26(34)32-18(3)31-23)20-10-12-25(22(15-20)27(28,29)30)36(35)24-8-6-5-7-17(24)2/h1,5-12,14-15H,13,16H2,2-3H3,(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant human thymidylate synthase				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056524 (2-Methyl-6-({prop-2-ynyl-[4-(toluene-2-sulfinyl)-3...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(c3)C(F)(F)F)S(=O)c3ccccc3C)cc2c(=O)[nH]1 Show InChI InChI=1S/C27H22F3N3O2S/c1-4-13-33(16-19-9-11-23-21(14-19)26(34)32-18(3)31-23)20-10-12-25(22(15-20)27(28,29)30)36(35)24-8-6-5-7-17(24)2/h1,5-12,14-15H,13,16H2,2-3H3,(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant human thymidylate synthase				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50056524 (2-Methyl-6-({prop-2-ynyl-[4-(toluene-2-sulfinyl)-3...) Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(c3)C(F)(F)F)S(=O)c3ccccc3C)cc2c(=O)[nH]1 Show InChI InChI=1S/C27H22F3N3O2S/c1-4-13-33(16-19-9-11-23-21(14-19)26(34)32-18(3)31-23)20-10-12-25(22(15-20)27(28,29)30)36(35)24-8-6-5-7-17(24)2/h1,5-12,14-15H,13,16H2,2-3H3,(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against recombinant thymidylate synthase in E. coli				J Med Chem 40: 677-83 (1997) Article DOI: 10.1021/jm960613f BindingDB Entry DOI: 10.7270/Q25X2810
					More data for this Ligand-Target Pair