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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50545255'   
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))		BDBM50545255
PNG
(CHEMBL4643348)
Show SMILES [H][C@@]12CC[C@@](O)(Cc3ccc(cc3)C(C)(C)C)C1(C)CC[C@]1([H])c3cc(OC)c(OS(N)(=O)=O)cc3CC[C@@]21[H] |r|
Show InChI InChI=1S/C30H41NO5S/c1-28(2,3)21-9-6-19(7-10-21)18-30(32)15-13-25-23-11-8-20-16-27(36-37(31,33)34)26(35-5)17-24(20)22(23)12-14-29(25,30)4/h6-7,9-10,16-17,22-23,25,32H,8,11-15,18H2,1-5H3,(H2,31,33,34)/t22-,23+,25-,29?,30+/m0/s1
PDB
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KEGG

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0400n/an/an/an/an/an/a



CHU de Qu£bec - Research Center

Curated by ChEMBL


Assay Description
Irreversible inhibition of human steroid sulfatase expressed in HEK293 cells using [3H] E1S as substrate after 2 hrs by liquid scintillation counting...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115368
BindingDB Entry DOI: 10.7270/Q2V98CNK
More data for this
Ligand-Target Pair