null

SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(cc2)N(=O)=O)C(O)=O)cc1

InChI Key: InChIKey=WPIQCSRQXCMSDG-DEOSSOPVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 36700   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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	1.50E+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)	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	>1.33E+6	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 (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