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BDBM50161120 4-(2,5-Dimethoxy-benzenesulfonylaminocarbonyl)-piperidine-1-carboxylic acid tert-butyl ester::CHEMBL179014

SMILES: COc1ccc(OC)c(c1)S(=O)(=O)NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C

InChI Key: InChIKey=HTDFSJSZLPBKST-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50161120   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50161120
PNG
(4-(2,5-Dimethoxy-benzenesulfonylaminocarbonyl)-pip...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H28N2O7S/c1-19(2,3)28-18(23)21-10-8-13(9-11-21)17(22)20-29(24,25)16-12-14(26-4)6-7-15(16)27-5/h6-7,12-13H,8-11H2,1-5H3,(H,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory constant against human steroid sulfatase


Bioorg Med Chem Lett 15: 1235-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.069
BindingDB Entry DOI: 10.7270/Q2RF5THG
More data for this
Ligand-Target Pair