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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50118570   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50118570
PNG
(CHEMBL137707 | Sulfamic acid 2-(1,1-dimethyl-nonyl...)
Show SMILES CCCCCCCCC(C)(C)c1cc(=O)c2cc(OS(N)(=O)=O)ccc2o1
Show InChI InChI=1S/C20H29NO5S/c1-4-5-6-7-8-9-12-20(2,3)19-14-17(22)16-13-15(26-27(21,23)24)10-11-18(16)25-19/h10-11,13-14H,4-9,12H2,1-3H3,(H2,21,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 78n/an/an/an/an/an/a



Novartis Research Institute Vienna

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase


J Med Chem 46: 5091-4 (2003)


Article DOI: 10.1021/jm030926s
BindingDB Entry DOI: 10.7270/Q2RF5VR1
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50118570
PNG
(CHEMBL137707 | Sulfamic acid 2-(1,1-dimethyl-nonyl...)
Show SMILES CCCCCCCCC(C)(C)c1cc(=O)c2cc(OS(N)(=O)=O)ccc2o1
Show InChI InChI=1S/C20H29NO5S/c1-4-5-6-7-8-9-12-20(2,3)19-14-17(22)16-13-15(26-27(21,23)24)10-11-18(16)25-19/h10-11,13-14H,4-9,12H2,1-3H3,(H2,21,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 78n/an/an/an/an/an/a



Novartis Research Institute Vienna

Curated by ChEMBL


Assay Description
Inhibitory activity against purified human steroid sulfatase (STS)


J Med Chem 45: 4310-20 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ66SF
More data for this
Ligand-Target Pair