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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM17289'   
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))
BDBM17289
PNG
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
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MMDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
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Purchase

CHEMBL
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MCE
KEGG
MMDB
PC cid
PC sid
PDB
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Patents


Similars

Article
PubMed
n/an/a 5.10E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate after 10 mins by fluorescence assay


Bioorg Med Chem 19: 5999-6005 (2011)


Article DOI: 10.1016/j.bmc.2011.08.046
BindingDB Entry DOI: 10.7270/Q2FX79VJ
More data for this
Ligand-Target Pair