Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 3627   

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	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36702 (Dansyltyrosine deriviative 20B) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(O)=O)cc1 |r| Show InChI InChI=1S/C31H28N2O7S2/c1-33(2)29-11-5-10-27-26(29)9-6-12-30(27)42(38,39)40-24-16-13-21(14-17-24)19-28(31(34)35)32-41(36,37)25-18-15-22-7-3-4-8-23(22)20-25/h3-18,20,28,32H,19H2,1-2H3,(H,34,35)/t28-/m0/s1	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	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36710 (Dansyltyrosine deriviative 29B) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccc3cccnc23)C(O)=O)cc1 |r| Show InChI InChI=1S/C30H27N3O7S2/c1-33(2)26-11-4-10-24-23(26)9-5-12-27(24)42(38,39)40-22-16-14-20(15-17-22)19-25(30(34)35)32-41(36,37)28-13-3-7-21-8-6-18-31-29(21)28/h3-18,25,32H,19H2,1-2H3,(H,34,35)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36687 (Dansyltyrosine deriviative 4B) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(s2)-c2ccon2)C(O)=O)cc1 |r| Show InChI InChI=1S/C28H25N3O8S3/c1-31(2)24-7-3-6-21-20(24)5-4-8-26(21)42(36,37)39-19-11-9-18(10-12-19)17-23(28(32)33)30-41(34,35)27-14-13-25(40-27)22-15-16-38-29-22/h3-16,23,30H,17H2,1-2H3,(H,32,33)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36705 (Dansyltyrosine deriviative 24B) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NC(=O)c2cccc3nsnc23)C(O)=O)cc1 |r| Show InChI InChI=1S/C28H24N4O6S2/c1-32(2)24-10-4-7-20-19(24)6-5-11-25(20)40(36,37)38-18-14-12-17(13-15-18)16-23(28(34)35)29-27(33)21-8-3-9-22-26(21)31-39-30-22/h3-15,23H,16H2,1-2H3,(H,29,33)(H,34,35)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36709 (Dansyltyrosine deriviative 28B) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccc3ccccc23)C(O)=O)cc1 |r| Show InChI InChI=1S/C31H28N2O7S2/c1-33(2)28-13-6-12-26-25(28)11-7-15-30(26)42(38,39)40-23-18-16-21(17-19-23)20-27(31(34)35)32-41(36,37)29-14-5-9-22-8-3-4-10-24(22)29/h3-19,27,32H,20H2,1-2H3,(H,34,35)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36701 (Dansyl derivative, 3L | Dansyltyrosine deriviative...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(cc2)N(=O)=O)C(O)=O)cc1 |r| Show InChI InChI=1S/C27H25N3O9S2/c1-29(2)25-7-3-6-23-22(25)5-4-8-26(23)41(37,38)39-20-13-9-18(10-14-20)17-24(27(31)32)28-40(35,36)21-15-11-19(12-16-21)30(33)34/h3-16,24,28H,17H2,1-2H3,(H,31,32)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36711 (Dansyltyrosine deriviative 30B) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccc3c(Cl)cccc23)C(O)=O)cc1 |r| Show InChI InChI=1S/C31H27ClN2O7S2/c1-34(2)28-12-4-10-25-23(28)8-6-14-30(25)43(39,40)41-21-17-15-20(16-18-21)19-27(31(35)36)33-42(37,38)29-13-5-7-22-24(29)9-3-11-26(22)32/h3-18,27,33H,19H2,1-2H3,(H,35,36)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50161778 ((S)-3-[4-(5-Dimethylamino-naphthalene-1-sulfonylox...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc3nnoc3c3ccccc23)C(O)=O)cc1 Show InChI InChI=1S/C31H26N4O8S2/c1-35(2)27-11-5-10-22-21(27)9-6-12-28(22)45(40,41)43-20-15-13-19(14-16-20)17-26(31(36)37)33-44(38,39)29-18-25-30(42-34-32-25)24-8-4-3-7-23(24)29/h3-16,18,26,33H,17H2,1-2H3,(H,36,37)/t26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36688 (Dansyltyrosine deriviative 5B) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(s2)-c2ccccn2)C(O)=O)cc1 |r| Show InChI InChI=1S/C30H27N3O7S3/c1-33(2)26-10-5-8-23-22(26)7-6-11-28(23)43(38,39)40-21-14-12-20(13-15-21)19-25(30(34)35)32-42(36,37)29-17-16-27(41-29)24-9-3-4-18-31-24/h3-18,25,32H,19H2,1-2H3,(H,34,35)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36699 (Dansyl derivative, 8L | Dansyltyrosine deriviative...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)Cc2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C28H28N2O7S2/c1-30(2)26-12-6-11-24-23(26)10-7-13-27(24)39(35,36)37-22-16-14-20(15-17-22)18-25(28(31)32)29-38(33,34)19-21-8-4-3-5-9-21/h3-17,25,29H,18-19H2,1-2H3,(H,31,32)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36698 (Dansyltyrosine deriviative 15B) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(C)cc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C28H28N2O7S2/c1-19-10-16-22(17-11-19)38(33,34)29-25(28(31)32)18-20-12-14-21(15-13-20)37-39(35,36)27-9-5-6-23-24(27)7-4-8-26(23)30(2)3/h4-17,25,29H,18H2,1-3H3,(H,31,32)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36697 (Dansyltyrosine deriviative 14B) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccccc2Cl)C(O)=O)cc1 |r| Show InChI InChI=1S/C27H25ClN2O7S2/c1-30(2)24-10-5-8-21-20(24)7-6-12-25(21)39(35,36)37-19-15-13-18(14-16-19)17-23(27(31)32)29-38(33,34)26-11-4-3-9-22(26)28/h3-16,23,29H,17H2,1-2H3,(H,31,32)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36685 (Dansyltyrosine deriviative 2B) Show SMILES COC(=O)c1sccc1S(=O)(=O)N[C@@H](Cc1ccc(OS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1)C(O)=O |r| Show InChI InChI=1S/C27H26N2O9S3/c1-29(2)22-8-4-7-20-19(22)6-5-9-23(20)41(35,36)38-18-12-10-17(11-13-18)16-21(26(30)31)28-40(33,34)24-14-15-39-25(24)27(32)37-3/h4-15,21,28H,16H2,1-3H3,(H,30,31)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36696 (Dansyl derivative, 5L | Dansyltyrosine deriviative...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(cc2N(=O)=O)C(F)(F)F)C(O)=O)cc1 |r| Show InChI InChI=1S/C28H24F3N3O9S2/c1-33(2)23-7-3-6-21-20(23)5-4-8-25(21)45(41,42)43-19-12-9-17(10-13-19)15-22(27(35)36)32-44(39,40)26-14-11-18(28(29,30)31)16-24(26)34(37)38/h3-14,16,22,32H,15H2,1-2H3,(H,35,36)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36706 (Dansyltyrosine deriviative 25B) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(NC(C)=O)cc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C29H29N3O8S2/c1-19(33)30-21-12-16-23(17-13-21)41(36,37)31-26(29(34)35)18-20-10-14-22(15-11-20)40-42(38,39)28-9-5-6-24-25(28)7-4-8-27(24)32(2)3/h4-17,26,31H,18H2,1-3H3,(H,30,33)(H,34,35)/t26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36704 (Dansyltyrosine deriviative 23B) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NC(=O)c2cnc3ccccc3n2)C(O)=O)cc1 |r| Show InChI InChI=1S/C30H26N4O6S/c1-34(2)27-11-5-8-22-21(27)7-6-12-28(22)41(38,39)40-20-15-13-19(14-16-20)17-25(30(36)37)33-29(35)26-18-31-23-9-3-4-10-24(23)32-26/h3-16,18,25H,17H2,1-2H3,(H,33,35)(H,36,37)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36693 (Dansyltyrosine deriviative 10B) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cn(C)cn2)C(O)=O)cc1 |r| Show InChI InChI=1S/C25H26N4O7S2/c1-28(2)22-8-4-7-20-19(22)6-5-9-23(20)38(34,35)36-18-12-10-17(11-13-18)14-21(25(30)31)27-37(32,33)24-15-29(3)16-26-24/h4-13,15-16,21,27H,14H2,1-3H3,(H,30,31)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36715 (1-(2-benzoyl-4-chlorophenyl)-3-(3-chlorophenyl)thi...) Show SMILES Clc1cccc(NC(=S)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 Show InChI InChI=1S/C20H14Cl2N2OS/c21-14-7-4-8-16(11-14)23-20(26)24-18-10-9-15(22)12-17(18)19(25)13-5-2-1-3-6-13/h1-12H,(H2,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36716 (2-amino-4-[(naphthalen-2-yl)carbamoyl]butanoic aci...) Show SMILES NC(CCC(=O)Nc1ccc2ccccc2c1)C(O)=O Show InChI InChI=1S/C15H16N2O3/c16-13(15(19)20)7-8-14(18)17-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8,16H2,(H,17,18)(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36707 (Dansyltyrosine deriviative 26B) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc(Cl)c(Oc3ccc(cc3Cl)N(=O)=O)c(Cl)c2)C(O)=O)cc1 |r| Show InChI InChI=1S/C33H26Cl3N3O10S2/c1-38(2)29-7-3-6-24-23(29)5-4-8-31(24)51(46,47)49-21-12-9-19(10-13-21)15-28(33(40)41)37-50(44,45)22-17-26(35)32(27(36)18-22)48-30-14-11-20(39(42)43)16-25(30)34/h3-14,16-18,28,37H,15H2,1-2H3,(H,40,41)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36712 (Dansyltyrosine deriviative 31B) Show SMILES CCCCN(CCCC)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc1ccc(OS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1)C(O)=O |r| Show InChI InChI=1S/C39H45N3O7S2/c1-5-7-25-42(26-8-6-2)36-18-10-15-32-31(36)14-11-19-37(32)50(45,46)40-34(39(43)44)27-28-21-23-29(24-22-28)49-51(47,48)38-20-12-13-30-33(38)16-9-17-35(30)41(3)4/h9-24,34,40H,5-8,25-27H2,1-4H3,(H,43,44)/t34-/m0/s1	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	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36700 (Dansyl derivative, 4L | Dansyltyrosine deriviative...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(cc2)N(=O)=O)C(O)=O)cc1 |r| Show InChI InChI=1S/C28H25N3O8S/c1-30(2)25-7-3-6-23-22(25)5-4-8-26(23)40(37,38)39-21-15-9-18(10-16-21)17-24(28(33)34)29-27(32)19-11-13-20(14-12-19)31(35)36/h3-16,24H,17H2,1-2H3,(H,29,32)(H,33,34)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36690 (Dansyltyrosine deriviative 7B) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C27H26N2O7S2/c1-29(2)25-12-6-11-23-22(25)10-7-13-26(23)38(34,35)36-20-16-14-19(15-17-20)18-24(27(30)31)28-37(32,33)21-8-4-3-5-9-21/h3-17,24,28H,18H2,1-2H3,(H,30,31)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36689 (Dansyltyrosine deriviative 6B) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(s2)-c2cc([n+](C)[nH]2)C(F)(F)F)C(O)=O)cc1 |r| Show InChI InChI=1S/C30H27F3N4O7S3/c1-36(2)24-8-4-7-21-20(24)6-5-9-26(21)47(42,43)44-19-12-10-18(11-13-19)16-23(29(38)39)35-46(40,41)28-15-14-25(45-28)22-17-27(30(31,32)33)37(3)34-22/h4-15,17,23,35H,16H2,1-3H3,(H,38,39)/p+1/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
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	7.00E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36671 (Dansyl derivatives 10A, (R) isomer | Dansyl deriva...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(N)C(N)=O)cc1 Show InChI InChI=1S/C21H23N3O4S/c1-24(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(23)25/h3-12,18H,13,22H2,1-2H3,(H2,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36703 (Dansyl derivative, 7L | Dansyltyrosine deriviative...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NC(=O)c2ccc3ccccc3c2)C(O)=O)cc1 |r| Show InChI InChI=1S/C32H28N2O6S/c1-34(2)29-11-5-10-27-26(29)9-6-12-30(27)41(38,39)40-25-17-13-21(14-18-25)19-28(32(36)37)33-31(35)24-16-15-22-7-3-4-8-23(22)20-24/h3-18,20,28H,19H2,1-2H3,(H,33,35)(H,36,37)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36680 (Dansyl derivatives 19A, (S) isomer) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C21H21NO5S/c1-22(2)19-7-3-6-18-17(19)5-4-8-20(18)28(25,26)27-16-12-9-15(10-13-16)11-14-21(23)24/h3-10,12-13H,11,14H2,1-2H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36676 (Dansyl derivatives 14A, (S) isomer) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(NC(=O)OC(C)(C)C)C(O)=O)cc1 Show InChI InChI=1S/C26H30N2O7S/c1-26(2,3)34-25(31)27-21(24(29)30)16-17-12-14-18(15-13-17)35-36(32,33)23-11-7-8-19-20(23)9-6-10-22(19)28(4)5/h6-15,21H,16H2,1-5H3,(H,27,31)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36671 (Dansyl derivatives 10A, (R) isomer | Dansyl deriva...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(N)C(N)=O)cc1 Show InChI InChI=1S/C21H23N3O4S/c1-24(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(23)25/h3-12,18H,13,22H2,1-2H3,(H2,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36684 (Dansyltyrosine deriviative 1B) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccs2)C(O)=O)cc1 |r| Show InChI InChI=1S/C25H24N2O7S3/c1-27(2)22-8-3-7-20-19(22)6-4-9-23(20)37(32,33)34-18-13-11-17(12-14-18)16-21(25(28)29)26-36(30,31)24-10-5-15-35-24/h3-15,21,26H,16H2,1-2H3,(H,28,29)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36713 (Dansyltyrosine deriviative 32B) Show SMILES [H][C@]12CCC(CS(=O)(=O)N[C@@H](Cc3ccc(OS(=O)(=O)c4cccc5c(cccc45)N(C)C)cc3)C(O)=O)(C(=O)C1)C2(C)C |r| Show InChI InChI=1S/C31H36N2O8S2/c1-30(2)21-15-16-31(30,28(34)18-21)19-42(37,38)32-25(29(35)36)17-20-11-13-22(14-12-20)41-43(39,40)27-10-6-7-23-24(27)8-5-9-26(23)33(3)4/h5-14,21,25,32H,15-19H2,1-4H3,(H,35,36)/t21-,25-,31?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36714 (Dansyltyrosine deriviative 34B) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)CC(F)(F)F)C(O)=O)cc1 |r| Show InChI InChI=1S/C23H23F3N2O7S2/c1-28(2)20-7-3-6-18-17(20)5-4-8-21(18)37(33,34)35-16-11-9-15(10-12-16)13-19(22(29)30)27-36(31,32)14-23(24,25)26/h3-12,19,27H,13-14H2,1-2H3,(H,29,30)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36708 (Dansyltyrosine deriviative 27B) Show SMILES CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(OS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1)C(O)=O |r| Show InChI InChI=1S/C35H35N5O7S2/c1-39(2)27-17-13-25(14-18-27)36-37-26-15-21-29(22-16-26)48(43,44)38-32(35(41)42)23-24-11-19-28(20-12-24)47-49(45,46)34-10-6-7-30-31(34)8-5-9-33(30)40(3)4/h5-22,32,38H,23H2,1-4H3,(H,41,42)/b37-36+/t32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36691 (Dansyltyrosine deriviative 8B) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C31H28N2O9S4/c1-33(2)28-12-6-11-26-25(28)10-7-13-29(26)46(40,41)42-22-16-14-21(15-17-22)18-27(31(34)35)32-45(38,39)30-19-24(20-43-30)44(36,37)23-8-4-3-5-9-23/h3-17,19-20,27,32H,18H2,1-2H3,(H,34,35)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+5	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36669 (Dansyl derivatives 7A, (S) isomer | Dansyl derivat...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(NC(C)=O)C(O)=O)cc1 Show InChI InChI=1S/C23H24N2O6S/c1-15(26)24-20(23(27)28)14-16-10-12-17(13-11-16)31-32(29,30)22-9-5-6-18-19(22)7-4-8-21(18)25(2)3/h4-13,20H,14H2,1-3H3,(H,24,26)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36679 (Dansyl derivatives 17A, (S) isomer) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(N)C(=O)NCC(O)=O)cc1 Show InChI InChI=1S/C23H25N3O6S/c1-26(2)20-7-3-6-18-17(20)5-4-8-21(18)33(30,31)32-16-11-9-15(10-12-16)13-19(24)23(29)25-14-22(27)28/h3-12,19H,13-14,24H2,1-2H3,(H,25,29)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+5	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36677 (Dansyl derivatives 15A, (S) isomer) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)cc1 Show InChI InChI=1S/C36H32N2O7S/c1-38(2)33-15-7-14-30-29(33)13-8-16-34(30)46(42,43)45-24-19-17-23(18-20-24)21-32(35(39)40)37-36(41)44-22-31-27-11-5-3-9-25(27)26-10-4-6-12-28(26)31/h3-20,31-32H,21-22H2,1-2H3,(H,37,41)(H,39,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+5	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36686 (Dansyl derivative, 9L | Dansyltyrosine deriviative...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc(Br)c(Br)s2)C(O)=O)cc1 |r| Show InChI InChI=1S/C25H22Br2N2O7S3/c1-29(2)21-7-3-6-18-17(21)5-4-8-22(18)39(34,35)36-16-11-9-15(10-12-16)13-20(25(30)31)28-38(32,33)23-14-19(26)24(27)37-23/h3-12,14,20,28H,13H2,1-2H3,(H,30,31)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36669 (Dansyl derivatives 7A, (S) isomer | Dansyl derivat...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(NC(C)=O)C(O)=O)cc1 Show InChI InChI=1S/C23H24N2O6S/c1-15(26)24-20(23(27)28)14-16-10-12-17(13-11-16)31-32(29,30)22-9-5-6-18-19(22)7-4-8-21(18)25(2)3/h4-13,20H,14H2,1-3H3,(H,24,26)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36695 (Dansyltyrosine deriviative 12B) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2c(C)noc2C)C(O)=O)cc1 |r| Show InChI InChI=1S/C26H27N3O8S2/c1-16-25(17(2)36-27-16)38(32,33)28-22(26(30)31)15-18-11-13-19(14-12-18)37-39(34,35)24-10-6-7-20-21(24)8-5-9-23(20)29(3)4/h5-14,22,28H,15H2,1-4H3,(H,30,31)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.38E+5	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36673 (Dansyl derivatives 11A, (S) isomer) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(CC(N)C(N)=O)cc1 Show InChI InChI=1S/C21H24N4O3S/c1-25(2)19-7-3-6-17-16(19)5-4-8-20(17)29(27,28)24-15-11-9-14(10-12-15)13-18(22)21(23)26/h3-12,18,24H,13,22H2,1-2H3,(H2,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36694 (Dansyltyrosine deriviative 11B) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2c(C)nn(C)c2Cl)C(O)=O)cc1 |r| Show InChI InChI=1S/C26H27ClN4O7S2/c1-16-24(25(27)31(4)28-16)39(34,35)29-21(26(32)33)15-17-11-13-18(14-12-17)38-40(36,37)23-10-6-7-19-20(23)8-5-9-22(19)30(2)3/h5-14,21,29H,15H2,1-4H3,(H,32,33)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.61E+5	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					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	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36678 (Dansyl derivatives 16A, (S) isomer) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(N)C(=O)NCC(N)=O)cc1 Show InChI InChI=1S/C23H26N4O5S/c1-27(2)20-7-3-6-18-17(20)5-4-8-21(18)33(30,31)32-16-11-9-15(10-12-16)13-19(24)23(29)26-14-22(25)28/h3-12,19H,13-14,24H2,1-2H3,(H2,25,28)(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.96E+5	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					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	2.20E+5	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36666 (Dansyl derivatives 4A, (S) isomer) Show SMILES NC(Cc1ccc(OS(=O)(=O)c2cccc3c(Cl)cccc23)cc1)C(O)=O Show InChI InChI=1S/C19H16ClNO5S/c20-16-5-1-4-15-14(16)3-2-6-18(15)27(24,25)26-13-9-7-12(8-10-13)11-17(21)19(22)23/h1-10,17H,11,21H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+5	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36674 (Dansyl derivatives 12A, (S) isomer | Dansyl deriva...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(NC(C)=O)C(N)=O)cc1 Show InChI InChI=1S/C23H25N3O5S/c1-15(27)25-20(23(24)28)14-16-10-12-17(13-11-16)31-32(29,30)22-9-5-6-18-19(22)7-4-8-21(18)26(2)3/h4-13,20H,14H2,1-3H3,(H2,24,28)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.53E+5	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM36692 (Dansyltyrosine deriviative 9B) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2sc(NC(C)=O)nc2C)C(O)=O)cc1 |r| Show InChI InChI=1S/C27H28N4O8S3/c1-16-26(40-27(28-16)29-17(2)32)41(35,36)30-22(25(33)34)15-18-11-13-19(14-12-18)39-42(37,38)24-10-6-7-20-21(24)8-5-9-23(20)31(3)4/h5-14,22,30H,15H2,1-4H3,(H,33,34)(H,28,29,32)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.56E+5	n/a	n/a	n/a	n/a	7.4	20
Northwestern University					Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...				Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB
					More data for this Ligand-Target Pair

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