Reaction Details  Report a problem with these data
Target
Steryl-sulfatase
Ligand
BDBM10017
Substrate
n/a
Meas. Tech.
ChEMBL_718781 (CHEMBL1681079)
IC50
277±n/a nM
Citation
 Woo, LW; Bubert, C; Purohit, A Hybrid Dual Aromatase-Steroid Sulfatase Inhibitors with Exquisite Picomolar Inhibitory Activity ACS Med Chem Lett 2:243-247 (2011) [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:
BDBM10017
Synonyms:
(4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}phenyl) sulfamate | JMC503540 Compound 2 | YM511 Analog 4 | YM511-based dual aromatase-sulfatase inhibitor (DASI) 4 | dual aromatase-sulfatase inhibitor 4
Type:
Small organic molecule
Emp. Form.:
C16H14N6O3S
Mol. Mass.:
370.386
SMILES:
NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1
Structure:
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