Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM84605'   

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)	BDBM84605 (Dansyl derivative, 8R) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc2C[C@H](N(Cc2c1)S(=O)(=O)Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C29H28N2O7S2/c1-30(2)26-12-6-11-25-24(26)10-7-13-28(25)40(36,37)38-23-15-14-21-17-27(29(32)33)31(18-22(21)16-23)39(34,35)19-20-8-4-3-5-9-20/h3-16,27H,17-19H2,1-2H3,(H,32,33)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia via Campi 183					Assay Description All compounds were screened for inhibitory activity against Lactobacillus casei thymidylate synthase (LcTS) and Escherichia coli thymidylate synthase...				Chembiochem 9: 779-90 (2008) Article DOI: 10.1002/cbic.200700524 BindingDB Entry DOI: 10.7270/Q2PG1Q89
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM84605 (Dansyl derivative, 8R) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc2C[C@H](N(Cc2c1)S(=O)(=O)Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C29H28N2O7S2/c1-30(2)26-12-6-11-25-24(26)10-7-13-28(25)40(36,37)38-23-15-14-21-17-27(29(32)33)31(18-22(21)16-23)39(34,35)19-20-8-4-3-5-9-20/h3-16,27H,17-19H2,1-2H3,(H,32,33)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.94E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia via Campi 183					Assay Description All compounds were screened for inhibitory activity against Lactobacillus casei thymidylate synthase (LcTS) and Escherichia coli thymidylate synthase...				Chembiochem 9: 779-90 (2008) Article DOI: 10.1002/cbic.200700524 BindingDB Entry DOI: 10.7270/Q2PG1Q89
					More data for this Ligand-Target Pair