BDBM36713 Dansyltyrosine deriviative 32B

SMILES: [H][C@]12CCC(CS(=O)(=O)N[C@@H](Cc3ccc(OS(=O)(=O)c4cccc5c(cccc45)N(C)C)cc3)C(O)=O)(C(=O)C1)C2(C)C

InChI Key: InChIKey=XFCGLIKCNNGDJG-UDEIHNOASA-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 = 36713   

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)	BDBM36713 (Dansyltyrosine deriviative 32B) Show SMILES [H][C@]12CCC(CS(=O)(=O)N[C@@H](Cc3ccc(OS(=O)(=O)c4cccc5c(cccc45)N(C)C)cc3)C(O)=O)(C(=O)C1)C2(C)C |r| Show InChI InChI=1S/C31H36N2O8S2/c1-30(2)21-15-16-31(30,28(34)18-21)19-42(37,38)32-25(29(35)36)17-20-11-13-22(14-12-20)41-43(39,40)27-10-6-7-23-24(27)8-5-9-26(23)33(3)4/h5-14,21,25,32H,15-19H2,1-4H3,(H,35,36)/t21-,25-,31?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+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