BDBM36677 Dansyl derivatives 15A, (S) isomer

SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)cc1

InChI Key: InChIKey=FHSVKIITZFIGRG-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 36677   

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 (TS) (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
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