Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'fritz' and Initial = 'ta'   

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 (Lactobacillus casei)	BDBM50161779 ((S)-2-(5-Dimethylamino-naphthalene-1-sulfonylamino...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc1ccc(OS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1)C(O)=O Show InChI InChI=1S/C33H33N3O7S2/c1-35(2)29-13-5-11-26-24(29)9-7-15-31(26)44(39,40)34-28(33(37)38)21-22-17-19-23(20-18-22)43-45(41,42)32-16-8-10-25-27(32)12-6-14-30(25)36(3)4/h5-20,28,34H,21H2,1-4H3,(H,37,38)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco					Assay Description Affinity assay of specificities of thymidylate synthase (TS)inhibitors				Chem Biol 8: 981-95 (2001) Article DOI: 10.1016/S1074-5521(01)00067-9 BindingDB Entry DOI: 10.7270/Q24M92XD
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM40770 (2-naphthylsulfonyl) Show SMILES NC(Cc1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(O)=O Show InChI InChI=1S/C19H17NO5S/c20-18(19(21)22)11-13-5-8-16(9-6-13)25-26(23,24)17-10-7-14-3-1-2-4-15(14)12-17/h1-10,12,18H,11,20H2,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco					Assay Description Affinity assay of specificities of thymidylate synthase (TS)inhibitors				Chem Biol 8: 981-95 (2001) Article DOI: 10.1016/S1074-5521(01)00067-9 BindingDB Entry DOI: 10.7270/Q24M92XD
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50161779 ((S)-2-(5-Dimethylamino-naphthalene-1-sulfonylamino...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc1ccc(OS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1)C(O)=O Show InChI InChI=1S/C33H33N3O7S2/c1-35(2)29-13-5-11-26-24(29)9-7-15-31(26)44(39,40)34-28(33(37)38)21-22-17-19-23(20-18-22)43-45(41,42)32-16-8-10-25-27(32)12-6-14-30(25)36(3)4/h5-20,28,34H,21H2,1-4H3,(H,37,38)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco					Assay Description Affinity assay of specificities of thymidylate synthase (TS)inhibitors				Chem Biol 8: 981-95 (2001) Article DOI: 10.1016/S1074-5521(01)00067-9 BindingDB Entry DOI: 10.7270/Q24M92XD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidylate synthase (Homo sapiens (Human))	BDBM36661 (5-(dimethylamino)naphthalene-1-sulfonohydrazide | ...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NN Show InChI InChI=1S/C12H15N3O2S/c1-15(2)11-7-3-6-10-9(11)5-4-8-12(10)18(16,17)14-13/h3-8,14H,13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco					Assay Description Affinity assay of specificities of thymidylate synthase (TS)inhibitors				Chem Biol 8: 981-95 (2001) Article DOI: 10.1016/S1074-5521(01)00067-9 BindingDB Entry DOI: 10.7270/Q24M92XD
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM40768 (5-dibutylamino-1-naphthylsulfonyl) Show SMILES CCCCN(CCCC)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(N)C(O)=O)cc1 Show InChI InChI=1S/C27H34N2O5S/c1-3-5-17-29(18-6-4-2)25-11-7-10-23-22(25)9-8-12-26(23)35(32,33)34-21-15-13-20(14-16-21)19-24(28)27(30)31/h7-16,24H,3-6,17-19,28H2,1-2H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco					Assay Description Affinity assay of specificities of thymidylate synthase (TS)inhibitors				Chem Biol 8: 981-95 (2001) Article DOI: 10.1016/S1074-5521(01)00067-9 BindingDB Entry DOI: 10.7270/Q24M92XD
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM40771 (2-naphthylcarbonyl) Show SMILES NC(Cc1ccc(OC(=O)c2ccc3ccccc3c2)cc1)C(O)=O Show InChI InChI=1S/C20H17NO4/c21-18(19(22)23)11-13-5-9-17(10-6-13)25-20(24)16-8-7-14-3-1-2-4-15(14)12-16/h1-10,12,18H,11,21H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco					Assay Description Affinity assay of specificities of thymidylate synthase (TS)inhibitors				Chem Biol 8: 981-95 (2001) Article DOI: 10.1016/S1074-5521(01)00067-9 BindingDB Entry DOI: 10.7270/Q24M92XD
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM40769 (4'-(dimethylamino)azobenzene-4-sulfonyl) Show SMILES CN(C)c1ccc(cc1)\N=N/c1ccc(cc1)S(=O)(=O)Oc1ccc(CC(N)C(O)=O)cc1 Show InChI InChI=1S/C23H24N4O5S/c1-27(2)19-9-5-17(6-10-19)25-26-18-7-13-21(14-8-18)33(30,31)32-20-11-3-16(4-12-20)15-22(24)23(28)29/h3-14,22H,15,24H2,1-2H3,(H,28,29)/b26-25-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco					Assay Description Affinity assay of specificities of thymidylate synthase (TS)inhibitors				Chem Biol 8: 981-95 (2001) Article DOI: 10.1016/S1074-5521(01)00067-9 BindingDB Entry DOI: 10.7270/Q24M92XD
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50161779 ((S)-2-(5-Dimethylamino-naphthalene-1-sulfonylamino...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc1ccc(OS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1)C(O)=O Show InChI InChI=1S/C33H33N3O7S2/c1-35(2)29-13-5-11-26-24(29)9-7-15-31(26)44(39,40)34-28(33(37)38)21-22-17-19-23(20-18-22)43-45(41,42)32-16-8-10-25-27(32)12-6-14-30(25)36(3)4/h5-20,28,34H,21H2,1-4H3,(H,37,38)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco					Assay Description Affinity assay of specificities of thymidylate synthase (TS)inhibitors				Chem Biol 8: 981-95 (2001) Article DOI: 10.1016/S1074-5521(01)00067-9 BindingDB Entry DOI: 10.7270/Q24M92XD
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36663 (Dansyl derivatives 1A, (S) isomer | Dansyl derivat...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(N)C(O)=O)cc1 Show InChI InChI=1S/C21H22N2O5S/c1-23(2)19-7-3-6-17-16(19)5-4-8-20(17)29(26,27)28-15-11-9-14(10-12-15)13-18(22)21(24)25/h3-12,18H,13,22H2,1-2H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco					Assay Description Affinity assay of specificities of thymidylate synthase (TS)inhibitors				Chem Biol 8: 981-95 (2001) Article DOI: 10.1016/S1074-5521(01)00067-9 BindingDB Entry DOI: 10.7270/Q24M92XD
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36661 (5-(dimethylamino)naphthalene-1-sulfonohydrazide | ...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NN Show InChI InChI=1S/C12H15N3O2S/c1-15(2)11-7-3-6-10-9(11)5-4-8-12(10)18(16,17)14-13/h3-8,14H,13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.58E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco					Assay Description Affinity assay of specificities of thymidylate synthase (TS)inhibitors				Chem Biol 8: 981-95 (2001) Article DOI: 10.1016/S1074-5521(01)00067-9 BindingDB Entry DOI: 10.7270/Q24M92XD
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM36663 (Dansyl derivatives 1A, (S) isomer | Dansyl derivat...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(N)C(O)=O)cc1 Show InChI InChI=1S/C21H22N2O5S/c1-23(2)19-7-3-6-17-16(19)5-4-8-20(17)29(26,27)28-15-11-9-14(10-12-15)13-18(22)21(24)25/h3-12,18H,13,22H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.71E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco					Assay Description Affinity assay of specificities of thymidylate synthase (TS)inhibitors				Chem Biol 8: 981-95 (2001) Article DOI: 10.1016/S1074-5521(01)00067-9 BindingDB Entry DOI: 10.7270/Q24M92XD
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM36661 (5-(dimethylamino)naphthalene-1-sulfonohydrazide | ...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NN Show InChI InChI=1S/C12H15N3O2S/c1-15(2)11-7-3-6-10-9(11)5-4-8-12(10)18(16,17)14-13/h3-8,14H,13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.11E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco					Assay Description Affinity assay of specificities of thymidylate synthase (TS)inhibitors				Chem Biol 8: 981-95 (2001) Article DOI: 10.1016/S1074-5521(01)00067-9 BindingDB Entry DOI: 10.7270/Q24M92XD
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM36663 (Dansyl derivatives 1A, (S) isomer | Dansyl derivat...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(N)C(O)=O)cc1 Show InChI InChI=1S/C21H22N2O5S/c1-23(2)19-7-3-6-17-16(19)5-4-8-20(17)29(26,27)28-15-11-9-14(10-12-15)13-18(22)21(24)25/h3-12,18H,13,22H2,1-2H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco					Assay Description Affinity assay of specificities of thymidylate synthase (TS)inhibitors				Chem Biol 8: 981-95 (2001) Article DOI: 10.1016/S1074-5521(01)00067-9 BindingDB Entry DOI: 10.7270/Q24M92XD
					More data for this Ligand-Target Pair