BDBM50286520 Acetyl-sulfamic acid (1R,2R,4R,6R)-2,4-dihydroxy-6-[4-(2-oxo-cyclohexyl)-butoxy]-cyclohexyl ester::CHEMBL142366

SMILES: CC(=O)NS(=O)(=O)O[C@@H]1[C@H](O)C[C@@H](O)C[C@H]1OCCCCC1CCCCC1=O

InChI Key: InChIKey=YLHATOXTMFWNSR-RXWMHYPFSA-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 = 50286520   

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
Inositol-1(or 4)-monophosphatase 1 (Bos taurus)	BDBM50286520 (Acetyl-sulfamic acid (1R,2R,4R,6R)-2,4-dihydroxy-6...) Show SMILES CC(=O)NS(=O)(=O)O[C@@H]1[C@H](O)C[C@@H](O)C[C@H]1OCCCCC1CCCCC1=O Show InChI InChI=1S/C18H31NO8S/c1-12(20)19-28(24,25)27-18-16(23)10-14(21)11-17(18)26-9-5-4-7-13-6-2-3-8-15(13)22/h13-14,16-18,21,23H,2-11H2,1H3,(H,19,20)/t13?,14-,16-,17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against myo-inositol-1-phosphatase				Bioorg Med Chem Lett 5: 469-474 (1995) Article DOI: 10.1016/0960-894X(95)00054-W BindingDB Entry DOI: 10.7270/Q2862GZ8
					More data for this Ligand-Target Pair