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SMILES: CCCCCCCCCCCCCC(=O)NCCc1ccc(OS(N)(=O)=O)cc1

InChI Key: InChIKey=MBODHUVGZPZRBW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50078543   
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))
BDBM50078543
PNG
(CHEMBL44459 | Sulfamic acid 4-(2-tetradecanoylamin...)
Show SMILES CCCCCCCCCCCCCC(=O)NCCc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C22H38N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(25)24-19-18-20-14-16-21(17-15-20)28-29(23,26)27/h14-17H,2-13,18-19H2,1H3,(H,24,25)(H2,23,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 56n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Estrone Sulfatase


Bioorg Med Chem Lett 11: 3001-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W959QT
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50078543
PNG
(CHEMBL44459 | Sulfamic acid 4-(2-tetradecanoylamin...)
Show SMILES CCCCCCCCCCCCCC(=O)NCCc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C22H38N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(25)24-19-18-20-14-16-21(17-15-20)28-29(23,26)27/h14-17H,2-13,18-19H2,1H3,(H,24,25)(H2,23,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 56n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibitory activity against estrone sulfatase enzyme


Bioorg Med Chem Lett 9: 1645-50 (1999)


BindingDB Entry DOI: 10.7270/Q23R0TC0
More data for this
Ligand-Target Pair