Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM36674'   

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)	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)	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	4.59E+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