BDBM50188794 CHEMBL380374::ammonium N-{4-[3-methoxy-2-(methoxycarbonyl)-2-{[3-(methoxycarbonyl)phenyl]methyl}-3-oxopropyl]phenyl}sulfamate

SMILES: COC(=O)c1cccc(CC(Cc2ccc(NS([O-])(=O)=O)cc2)(C(=O)OC)C(=O)OC)c1

InChI Key: InChIKey=RJZYCVCUOYFXFY-UHFFFAOYSA-M

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 = 50188794   

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
Receptor-type tyrosine-protein phosphatase beta (PTPβ) (Homo sapiens (Human))	BDBM50188794 (CHEMBL380374 | ammonium N-{4-[3-methoxy-2-(methoxy...) Show SMILES COC(=O)c1cccc(CC(Cc2ccc(NS([O-])(=O)=O)cc2)(C(=O)OC)C(=O)OC)c1 Show InChI InChI=1S/C21H23NO9S/c1-29-18(23)16-6-4-5-15(11-16)13-21(19(24)30-2,20(25)31-3)12-14-7-9-17(10-8-14)22-32(26,27)28/h4-11,22H,12-13H2,1-3H3,(H,26,27,28)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair