null

SMILES: OS(=O)(=O)Nc1cccc(CCC(=O)N2CCc3ccc(NS(O)(=O)=O)cc3C2)c1

InChI Key: InChIKey=FXQBEIAXSVCANH-UHFFFAOYSA-N

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 13464   

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
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13464 (N-(3-{3-oxo-3-[7-(sulfoamino)-1,2,3,4-tetrahydrois...) Show SMILES OS(=O)(=O)Nc1cccc(CCC(=O)N2CCc3ccc(NS(O)(=O)=O)cc3C2)c1 Show InChI InChI=1S/C18H21N3O7S2/c22-18(7-4-13-2-1-3-16(10-13)19-29(23,24)25)21-9-8-14-5-6-17(11-15(14)12-21)20-30(26,27)28/h1-3,5-6,10-11,19-20H,4,7-9,12H2,(H,23,24,25)(H,26,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair