Reaction Details Report a problem with these data
Target
Steryl-sulfatase
Ligand
BDBM50370420
Substrate
n/a
Meas. Tech.
ChEMBL_304997 (CHEMBL829433)
IC50
420±n/a nM
Citation
 Schreiner, EP; Billich, A Estrone formate: a novel type of irreversible inhibitor of human steroid sulfatase. Bioorg Med Chem Lett 14:4999-5002 (2004) [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:
BDBM50370420
Synonyms:
CHEMBL1627728
Type:
Small organic molecule
Emp. Form.:
C19H22O3
Mol. Mass.:
298.3762
SMILES:
C[C@]12CC[C@H]3[C@@H](CCc4cc(OC=O)ccc34)[C@@H]1CCC2=O
Structure:
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