BDBM36666 Dansyl derivatives 4A, (S) isomer

SMILES: NC(Cc1ccc(OS(=O)(=O)c2cccc3c(Cl)cccc23)cc1)C(O)=O

InChI Key: InChIKey=WBJPFYSOAJRNLU-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 36666   

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)	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