Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'dev' and Initial = 'ik'   

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))	BDBM50040857 ((S)-2-{2-Fluoro-4-[(3-methyl-1-oxo-1,2-dihydro-ben...) Show SMILES Cc1nc2ccc3ccc(CNc4ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c4)cc3c2c(=O)[nH]1 Show InChI InChI=1S/C26H23FN4O6/c1-13-29-20-7-4-15-3-2-14(10-18(15)23(20)25(35)30-13)12-28-16-5-6-17(19(27)11-16)24(34)31-21(26(36)37)8-9-22(32)33/h2-7,10-11,21,28H,8-9,12H2,1H3,(H,31,34)(H,32,33)(H,36,37)(H,29,30,35)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description The compound was tested for inhibitory activity against thymidylate synthase(purified recombinant human gene) from E. coli				J Med Chem 37: 838-44 (1994) BindingDB Entry DOI: 10.7270/Q2VM4B98
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50040861 ((S)-2-(5-(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUIN...) Show SMILES Cc1nc2ccc3ccc(CNc4ccc5C(=O)N(Cc5c4)[C@@H](CCC(O)=O)C(O)=O)cc3c2c(=O)[nH]1 Show InChI InChI=1S/C27H24N4O6/c1-14-29-21-7-4-16-3-2-15(10-20(16)24(21)25(34)30-14)12-28-18-5-6-19-17(11-18)13-31(26(19)35)22(27(36)37)8-9-23(32)33/h2-7,10-11,22,28H,8-9,12-13H2,1H3,(H,32,33)(H,36,37)(H,29,30,34)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description The compound was tested for inhibitory activity against thymidylate synthase(purified recombinant human gene) from E. coli				J Med Chem 37: 838-44 (1994) BindingDB Entry DOI: 10.7270/Q2VM4B98
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50040865 ((S)-2-{4-[(3-Methyl-1-oxo-1,2-dihydro-benzo[f]quin...) Show SMILES Cc1nc2ccc3ccc(CNc4ccc(cc4)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc3c2c(=O)[nH]1 Show InChI InChI=1S/C26H24N4O6/c1-14-28-20-9-6-16-3-2-15(12-19(16)23(20)25(34)29-14)13-27-18-7-4-17(5-8-18)24(33)30-21(26(35)36)10-11-22(31)32/h2-9,12,21,27H,10-11,13H2,1H3,(H,30,33)(H,31,32)(H,35,36)(H,28,29,34)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description The compound was tested for inhibitory activity against thymidylate synthase(purified recombinant human gene) from E. coli.				J Med Chem 37: 838-44 (1994) BindingDB Entry DOI: 10.7270/Q2VM4B98
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50040860 ((S)-2-({5-[(3-Methyl-1-oxo-1,2-dihydro-benzo[f]qui...) Show SMILES Cc1nc2ccc3ccc(CNc4ccc(s4)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc3c2c(=O)[nH]1 Show InChI InChI=1S/C24H22N4O6S/c1-12-26-16-5-4-14-3-2-13(10-15(14)21(16)23(32)27-12)11-25-19-8-7-18(35-19)22(31)28-17(24(33)34)6-9-20(29)30/h2-5,7-8,10,17,25H,6,9,11H2,1H3,(H,28,31)(H,29,30)(H,33,34)(H,26,27,32)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description The compound was tested for inhibitory activity against thymidylate synthase(purified recombinant human gene) from E. coli				J Med Chem 37: 838-44 (1994) BindingDB Entry DOI: 10.7270/Q2VM4B98
					More data for this Ligand-Target Pair				3D Structure (docked)
Thymidylate synthase (Homo sapiens (Human))	BDBM50040863 ((S)-2-{4-[(3-Amino-1-oxo-1,2-dihydro-benzo[f]quina...) Show SMILES Nc1nc2ccc3ccc(CNc4ccc(cc4)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc3c2c(=O)[nH]1 Show InChI InChI=1S/C25H23N5O6/c26-25-29-18-8-5-14-2-1-13(11-17(14)21(18)23(34)30-25)12-27-16-6-3-15(4-7-16)22(33)28-19(24(35)36)9-10-20(31)32/h1-8,11,19,27H,9-10,12H2,(H,28,33)(H,31,32)(H,35,36)(H3,26,29,30,34)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description The compound was tested for inhibitory activity against thymidylate synthase(purified recombinant human gene) from E. coli.				J Med Chem 37: 838-44 (1994) BindingDB Entry DOI: 10.7270/Q2VM4B98
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50040859 ((S)-2-{5-[Methyl-(3-methyl-1-oxo-1,2-dihydro-benzo...) Show SMILES CN(Cc1ccc2ccc3nc(C)[nH]c(=O)c3c2c1)c1ccc2C(=O)N(Cc2c1)[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C28H26N4O6/c1-15-29-22-8-5-17-4-3-16(11-21(17)25(22)26(35)30-15)13-31(2)19-6-7-20-18(12-19)14-32(27(20)36)23(28(37)38)9-10-24(33)34/h3-8,11-12,23H,9-10,13-14H2,1-2H3,(H,33,34)(H,37,38)(H,29,30,35)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description The compound was tested for inhibitory activity against thymidylate synthase(purified recombinant human gene) from E. coli				J Med Chem 37: 838-44 (1994) BindingDB Entry DOI: 10.7270/Q2VM4B98
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50042378 (2-[4-(3-Amino-1-oxo-1,2,5,6-tetrahydro-benzo[f]qui...) Show SMILES Nc1nc2CCc3ccc(cc3-c2c(=O)[nH]1)S(=O)(=O)Nc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C24H23N5O8S/c25-24-27-17-8-4-12-3-7-15(11-16(12)20(17)22(33)28-24)38(36,37)29-14-5-1-13(2-6-14)21(32)26-18(23(34)35)9-10-19(30)31/h1-3,5-7,11,18,29H,4,8-10H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human thymidylate synthase isolated from an E. coli harboring thy A gene cloned from SV40 transformed human fibroblast cells				J Med Chem 36: 3464-71 (1993) BindingDB Entry DOI: 10.7270/Q2K0739T
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50040862 ((S)-2-{6-[(3-Methyl-1-oxo-1,2-dihydro-benzo[f]quin...) Show SMILES Cc1nc2ccc3ccc(CNc4ccc5c(c4)sn([C@@H](CCC(O)=O)C(O)=O)c5=O)cc3c2c(=O)[nH]1 Show InChI InChI=1S/C26H22N4O6S/c1-13-28-19-7-4-15-3-2-14(10-18(15)23(19)24(33)29-13)12-27-16-5-6-17-21(11-16)37-30(25(17)34)20(26(35)36)8-9-22(31)32/h2-7,10-11,20,27H,8-9,12H2,1H3,(H,31,32)(H,35,36)(H,28,29,33)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description The compound was tested for inhibitory activity against thymidylate synthase(purified recombinant human gene) from E. coli				J Med Chem 37: 838-44 (1994) BindingDB Entry DOI: 10.7270/Q2VM4B98
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50040858 ((S)-2-[4-(3-Methyl-1-oxo-1,2-dihydro-benzo[f]quina...) Show SMILES Cc1nc2ccc3ccc(cc3c2c(=O)[nH]1)S(=O)(=O)Nc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C25H22N4O8S/c1-13-26-19-9-5-14-4-8-17(12-18(14)22(19)24(33)27-13)38(36,37)29-16-6-2-15(3-7-16)23(32)28-20(25(34)35)10-11-21(30)31/h2-9,12,20,29H,10-11H2,1H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human thymidylate synthase isolated from an E. coli harboring thy A gene cloned from SV40 transformed human fibroblast cells				J Med Chem 36: 3464-71 (1993) BindingDB Entry DOI: 10.7270/Q2K0739T
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50040858 ((S)-2-[4-(3-Methyl-1-oxo-1,2-dihydro-benzo[f]quina...) Show SMILES Cc1nc2ccc3ccc(cc3c2c(=O)[nH]1)S(=O)(=O)Nc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C25H22N4O8S/c1-13-26-19-9-5-14-4-8-17(12-18(14)22(19)24(33)27-13)38(36,37)29-16-6-2-15(3-7-16)23(32)28-20(25(34)35)10-11-21(30)31/h2-9,12,20,29H,10-11H2,1H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description The compound was tested for inhibitory activity against thymidylate synthase(purified recombinant human gene) from E. coli				J Med Chem 37: 838-44 (1994) BindingDB Entry DOI: 10.7270/Q2VM4B98
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50042375 (2-[4-(3-Methyl-1-oxo-1,2,5,6-tetrahydro-benzo[f]qu...) Show SMILES Cc1nc2CCc3ccc(cc3-c2c(=O)[nH]1)S(=O)(=O)Nc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C25H24N4O8S/c1-13-26-19-9-5-14-4-8-17(12-18(14)22(19)24(33)27-13)38(36,37)29-16-6-2-15(3-7-16)23(32)28-20(25(34)35)10-11-21(30)31/h2-4,6-8,12,20,29H,5,9-11H2,1H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human thymidylate synthase isolated from an E. coli harboring thy A gene cloned from SV40 transformed human fibroblast cells				J Med Chem 36: 3464-71 (1993) BindingDB Entry DOI: 10.7270/Q2K0739T
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50230985 (CHEMBL306705) Show SMILES Nc1nc(O)c2c(ccc3ccc(Br)cc23)n1 Show InChI InChI=1S/C12H8BrN3O/c13-7-3-1-6-2-4-9-10(8(6)5-7)11(17)16-12(14)15-9/h1-5H,(H3,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human thymidylate synthase (TS) isolated from an Escherichia coli harboring a plasmid with thy A gene cloned from SV40 transfo...				J Med Chem 36: 3464-71 (1993) BindingDB Entry DOI: 10.7270/Q2K0739T
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50040864 ((S)-2-{4-[Methyl-(3-methyl-1-oxo-1,2-dihydro-benzo...) Show SMILES CN(Cc1ccc2ccc3nc(C)[nH]c(=O)c3c2c1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C27H26N4O6/c1-15-28-21-10-7-17-4-3-16(13-20(17)24(21)26(35)29-15)14-31(2)19-8-5-18(6-9-19)25(34)30-22(27(36)37)11-12-23(32)33/h3-10,13,22H,11-12,14H2,1-2H3,(H,30,34)(H,32,33)(H,36,37)(H,28,29,35)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description The compound was tested for inhibitory activity against thymidylate synthase(purified recombinant human gene) from E. coli.				J Med Chem 37: 838-44 (1994) BindingDB Entry DOI: 10.7270/Q2VM4B98
					More data for this Ligand-Target Pair				3D Structure (docked)
Thymidylate synthase (Homo sapiens (Human))	BDBM50042382 (2-[4-(3-Amino-1-oxo-1,2,5,6-tetrahydro-benzo[f]qui...) Show SMILES Nc1nc2CCc3cc(ccc3-c2c(=O)[nH]1)S(=O)(=O)Nc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C24H23N5O8S/c25-24-27-17-8-3-13-11-15(6-7-16(13)20(17)22(33)28-24)38(36,37)29-14-4-1-12(2-5-14)21(32)26-18(23(34)35)9-10-19(30)31/h1-2,4-7,11,18,29H,3,8-10H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human thymidylate synthase isolated from an E. coli harboring thy A gene cloned from SV40 transformed human fibroblast cells				J Med Chem 36: 3464-71 (1993) BindingDB Entry DOI: 10.7270/Q2K0739T
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50042380 (2-[4-(3-Amino-8-bromo-1-oxo-1,2,5,6-tetrahydro-ben...) Show SMILES Nc1nc2CCc3cc(Br)c(cc3-c2c(=O)[nH]1)S(=O)(=O)Nc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C24H22BrN5O8S/c25-15-9-12-3-6-16-20(22(34)29-24(26)28-16)14(12)10-18(15)39(37,38)30-13-4-1-11(2-5-13)21(33)27-17(23(35)36)7-8-19(31)32/h1-2,4-5,9-10,17,30H,3,6-8H2,(H,27,33)(H,31,32)(H,35,36)(H3,26,28,29,34)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human thymidylate synthase isolated from an E. coli harboring thy A gene cloned from SV40 transformed human fibroblast cells				J Med Chem 36: 3464-71 (1993) BindingDB Entry DOI: 10.7270/Q2K0739T
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50231342 (CHEMBL118750) Show SMILES [H][C@@](CCC(O)=O)(NC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc2ccc3nc(N)nc(O)c3c2c1)C(O)=O Show InChI InChI=1S/C24H21N5O8S/c25-24-27-17-8-4-12-1-5-14(11-16(12)20(17)22(33)28-24)29-38(36,37)15-6-2-13(3-7-15)21(32)26-18(23(34)35)9-10-19(30)31/h1-8,11,18,29H,9-10H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human thymidylate synthase (TS) isolated from an Escherichia coli harboring a plasmid with thy A gene cloned from SV40 transfo...				J Med Chem 36: 3464-71 (1993) BindingDB Entry DOI: 10.7270/Q2K0739T
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50042376 (2-{[4-(3-Amino-1-oxo-1,2,5,6-tetrahydro-benzo[f]qu...) Show SMILES Nc1nc2CCc3cc(ccc3-c2c(=O)[nH]1)S(=O)(=O)N(CC#C)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C27H25N5O8S/c1-2-13-32(17-6-3-15(4-7-17)24(35)29-21(26(37)38)11-12-22(33)34)41(39,40)18-8-9-19-16(14-18)5-10-20-23(19)25(36)31-27(28)30-20/h1,3-4,6-9,14,21H,5,10-13H2,(H,29,35)(H,33,34)(H,37,38)(H3,28,30,31,36)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human thymidylate synthase isolated from an E. coli harboring thy A gene cloned from SV40 transformed human fibroblast cells				J Med Chem 36: 3464-71 (1993) BindingDB Entry DOI: 10.7270/Q2K0739T
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50042381 (3-Methyl-2H-benzo[f]quinazolin-1-one | CHEMBL41889...) Show SMILES Cc1nc2ccc3ccccc3c2c(=O)[nH]1 Show InChI InChI=1S/C13H10N2O/c1-8-14-11-7-6-9-4-2-3-5-10(9)12(11)13(16)15-8/h2-7H,1H3,(H,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human thymidylate synthase isolated from an E. coli harboring thy A gene cloned from SV40 transformed human fibroblast cells				J Med Chem 36: 3464-71 (1993) BindingDB Entry DOI: 10.7270/Q2K0739T
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50042383 (3-Amino-5,6-dihydro-2H-benzo[f]quinazolin-1-one | ...) Show SMILES Nc1nc2CCc3ccccc3-c2c(=O)[nH]1 Show InChI InChI=1S/C12H11N3O/c13-12-14-9-6-5-7-3-1-2-4-8(7)10(9)11(16)15-12/h1-4H,5-6H2,(H3,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human thymidylate synthase isolated from an E. coli harboring thy A gene cloned from SV40 transformed human fibroblast cells				J Med Chem 36: 3464-71 (1993) BindingDB Entry DOI: 10.7270/Q2K0739T
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50042373 (2-[4-(3-Methyl-1-oxo-1,2-dihydro-benzo[f]quinazoli...) Show SMILES Cc1nc2ccc3c(cccc3c2c(=O)[nH]1)S(=O)(=O)Nc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C25H22N4O8S/c1-13-26-18-10-9-16-17(22(18)24(33)27-13)3-2-4-20(16)38(36,37)29-15-7-5-14(6-8-15)23(32)28-19(25(34)35)11-12-21(30)31/h2-10,19,29H,11-12H2,1H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human thymidylate synthase isolated from an E. coli harboring thy A gene cloned from SV40 transformed human fibroblast cells				J Med Chem 36: 3464-71 (1993) BindingDB Entry DOI: 10.7270/Q2K0739T
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50042377 (3-Amino-8-bromo-5,6-dihydro-2H-benzo[f]quinazolin-...) Show SMILES Nc1nc2CCc3cc(Br)ccc3-c2c(=O)[nH]1 Show InChI InChI=1S/C12H10BrN3O/c13-7-2-3-8-6(5-7)1-4-9-10(8)11(17)16-12(14)15-9/h2-3,5H,1,4H2,(H3,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human thymidylate synthase isolated from an E. coli harboring thy A gene cloned from SV40 transformed human fibroblast cells				J Med Chem 36: 3464-71 (1993) BindingDB Entry DOI: 10.7270/Q2K0739T
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50231341 (CHEMBL116508) Show SMILES [H][C@@](CCC(O)=O)(NC(=O)c1ccc(NS(=O)(=O)c2cc3ccc4nc(N)nc(O)c4c3cc2Br)cc1)C(O)=O Show InChI InChI=1S/C24H20BrN5O8S/c25-15-10-14-12(3-6-16-20(14)22(34)29-24(26)28-16)9-18(15)39(37,38)30-13-4-1-11(2-5-13)21(33)27-17(23(35)36)7-8-19(31)32/h1-6,9-10,17,30H,7-8H2,(H,27,33)(H,31,32)(H,35,36)(H3,26,28,29,34)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human thymidylate synthase (TS) isolated from an Escherichia coli harboring a plasmid with thy A gene cloned from SV40 transfo...				J Med Chem 36: 3464-71 (1993) BindingDB Entry DOI: 10.7270/Q2K0739T
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50042374 (2-{Methyl-[4-(3-methyl-1-oxo-1,2,5,6-tetrahydro-be...) Show SMILES CN(c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O)S(=O)(=O)c1ccc2CCc3nc(C)[nH]c(=O)c3-c2c1 Show InChI InChI=1S/C26H26N4O8S/c1-14-27-20-10-6-15-5-9-18(13-19(15)23(20)25(34)28-14)39(37,38)30(2)17-7-3-16(4-8-17)24(33)29-21(26(35)36)11-12-22(31)32/h3-5,7-9,13,21H,6,10-12H2,1-2H3,(H,29,33)(H,31,32)(H,35,36)(H,27,28,34)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human thymidylate synthase isolated from an E. coli harboring thy A gene cloned from SV40 transformed human fibroblast cells				J Med Chem 36: 3464-71 (1993) BindingDB Entry DOI: 10.7270/Q2K0739T
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50042379 (3-Methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one |...) Show SMILES Cc1nc2CCc3ccccc3-c2c(=O)[nH]1 Show InChI InChI=1S/C13H12N2O/c1-8-14-11-7-6-9-4-2-3-5-10(9)12(11)13(16)15-8/h2-5H,6-7H2,1H3,(H,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.56E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human thymidylate synthase isolated from an E. coli harboring thy A gene cloned from SV40 transformed human fibroblast cells				J Med Chem 36: 3464-71 (1993) BindingDB Entry DOI: 10.7270/Q2K0739T
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50044608 (3-Amino-8,9-dichloro-5,6-dihydro-2H-benzo[f]quinaz...) Show SMILES Nc1nc2CCc3cc(Cl)c(Cl)cc3-c2c(=O)[nH]1 Show InChI InChI=1S/C12H9Cl2N3O/c13-7-3-5-1-2-9-10(6(5)4-8(7)14)11(18)17-12(15)16-9/h3-4H,1-2H2,(H3,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against thymidylate synthase (TS) in human				J Med Chem 36: 2279-91 (1993) BindingDB Entry DOI: 10.7270/Q2FX78HN
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50044612 (3-Amino-7,9-dimethyl-5,6-dihydro-2H-benzo[f]quinaz...) Show SMILES Cc1cc(C)c2CCc3nc(N)[nH]c(=O)c3-c2c1 Show InChI InChI=1S/C14H15N3O/c1-7-5-8(2)9-3-4-11-12(10(9)6-7)13(18)17-14(15)16-11/h5-6H,3-4H2,1-2H3,(H3,15,16,17,18)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against thymidylate synthase (TS) in Escherichia coli				J Med Chem 36: 2279-91 (1993) BindingDB Entry DOI: 10.7270/Q2FX78HN
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50044614 (2-Amino-11,12-dihydro-3H-1,3-diaza-chrysen-4-one |...) Show SMILES Nc1nc2CCc3c(ccc4ccccc34)-c2c(=O)[nH]1 Show InChI InChI=1S/C16H13N3O/c17-16-18-13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14(13)15(20)19-16/h1-6H,7-8H2,(H3,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against thymidylate synthase (TS) in Escherichia coli				J Med Chem 36: 2279-91 (1993) BindingDB Entry DOI: 10.7270/Q2FX78HN
					More data for this Ligand-Target Pair