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Target
Steryl-sulfatase
Ligand
BDBM50121113
Substrate
n/a
Meas. Tech.
ChEMBL_1577229 (CHEMBL3807720)
IC50
1.000000±n/a nM
Citation
 Shah, R; Singh, J; Singh, D; Jaggi, AS; Singh, N Sulfatase inhibitors for recidivist breast cancer treatment: A chemical review. Eur J Med Chem 114:170-90 (2016) [PubMed]  Article 
Target
Name:
Steryl-sulfatase
Synonyms:
ARSC1 | ASC | Arylsulfatase C | STS | STS_HUMAN | Steroid sulfatase | Steryl-sulfate sulfohydrolase
Type:
Enzyme
Mol. Mass.:
65503.66
Organism:
Homo sapiens (Human)
Description:
P08842
Residue:
583
Sequence:
MPLRKMKIPFLLLFFLWEAESHAASRPNIILVMADDLGIGDPGCYGNKTIRTPNIDRLASGGVKLTQHLAASPLCTPSRAAFMTGRYPVRSGMASWSRTGVFLFTASSGGLPTDEITFAKLLKDQGYSTALIGKWHLGMSCHSKTDFCHHPLHHGFNYFYGISLTNLRDCKPGEGSVFTTGFKRLVFLPLQIVGVTLLTLAALNCLGLLHVPLGVFFSLLFLAALILTLFLGFLHYFRPLNCFMMRNYEIIQQPMSYDNLTQRLTVEAAQFIQRNTETPFLLVLSYLHVHTALFSSKDFAGKSQHGVYGDAVEEMDWSVGQILNLLDELRLANDTLIYFTSDQGAHVEEVSSKGEIHGGSNGIYKGGKANNWEGGIRVPGILRWPRVIQAGQKIDEPTSNMDIFPTVAKLAGAPLPEDRIIDGRDLMPLLEGKSQRSDHEFLFHYCNAYLNAVRWHPQNSTSIWKAFFFTPNFNPVGSNGCFATHVCFCFGSYVTHHDPPLLFDISKDPRERNPLTPASEPRFYEILKVMQEAADRHTQTLPEVPDQFSWNNFLWKPWLQLCCPSTGLSCQCDREKQDKRLSR
  
Inhibitor
Name:
BDBM50121113
Synonyms:
CHEMBL3622018
Type:
Small organic molecule
Emp. Form.:
C18H22N2O5S
Mol. Mass.:
378.443
SMILES:
[H][C@]12CC[C@]3(C)C(=O)NC(=O)C[C@@]3([H])[C@]1([H])CCc1cc(OS(N)(=O)=O)ccc21 |r|
Structure:
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