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BDBM50369745 CHEMBL1627425

SMILES: CCCCCCCCCC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C

InChI Key: InChIKey=DLQWFAHWQPVGKM-MASCHLQQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50369745   
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))
BDBM50369745
PNG
(CHEMBL1627425)
Show SMILES CCCCCCCCCC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
Show InChI InChI=1S/C28H44O2/c1-3-4-5-6-7-8-9-10-17-28(30)19-16-26-25-13-11-21-20-22(29)12-14-23(21)24(25)15-18-27(26,28)2/h12,14,20,24-26,29-30H,3-11,13,15-19H2,1-2H3/t24-,25-,26+,27+,28+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Laval University Medical Center (CHUL)

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase activity of JEG-3 cells


J Med Chem 43: 4465-78 (2000)


Article DOI: 10.1021/jm0001166
BindingDB Entry DOI: 10.7270/Q2MC90QT
More data for this
Ligand-Target Pair