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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50355360'   
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))
BDBM50355360
PNG
(CHEMBL1835425)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(C=O)c(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1ccccc1 |r|
Show InChI InChI=1S/C26H30O3/c1-25-13-11-20-18-9-10-24(28)22(16-27)19(18)7-8-21(20)23(25)12-14-26(25,29)15-17-5-3-2-4-6-17/h2-6,9-10,16,20-21,23,28-29H,7-8,11-15H2,1H3/t20-,21-,23+,25+,26-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
85n/an/an/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 5 mins by Kitz-Wilson plot analysis


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
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50355360
PNG
(CHEMBL1835425)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(C=O)c(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1ccccc1 |r|
Show InChI InChI=1S/C26H30O3/c1-25-13-11-20-18-9-10-24(28)22(16-27)19(18)7-8-21(20)23(25)12-14-26(25,29)15-17-5-3-2-4-6-17/h2-6,9-10,16,20-21,23,28-29H,7-8,11-15H2,1H3/t20-,21-,23+,25+,26-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
8.50E+4n/an/an/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Reversible inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate by Lineweaver-Burk plot analysis


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