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BDBM50380224 CHEMBL189050

SMILES: Cc1cc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2cc1OS(N)(=O)=O

InChI Key: InChIKey=TWZULWIHTIHVRN-MVWRLGRASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50380224   
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))
BDBM50380224
PNG
(CHEMBL189050)
Show SMILES Cc1cc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2cc1OS(N)(=O)=O
Show InChI InChI=1S/C19H25NO4S/c1-11-9-15-12(10-17(11)24-25(20,22)23)3-4-14-13(15)7-8-19(2)16(14)5-6-18(19)21/h9-10,13-14,16H,3-8H2,1-2H3,(H2,20,22,23)/t13-,14+,16-,19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry


Bioorg Med Chem 20: 2506-19 (2012)


Article DOI: 10.1016/j.bmc.2012.03.007
BindingDB Entry DOI: 10.7270/Q2XG9S4J
More data for this
Ligand-Target Pair