Reaction Details Report a problem with these data
Target
Sphingomyelin phosphodiesterase 2
Ligand
BDBM50100341
Substrate
n/a
Meas. Tech.
ChEBML_201309
IC50
49300±n/a nM
Citation
 Yokomatsu, T; Takechi, H; Akiyama, T; Shibuya, S; Kominato, T; Soeda, S; Shimeno, H Synthesis and evaluation of a difluoromethylene analogue of sphingomyelin as an inhibitor of sphingomyelinase. Bioorg Med Chem Lett 11:1277-80 (2001) [PubMed]  Article 
Target
Name:
Sphingomyelin phosphodiesterase 2
Synonyms:
NSMA_RAT | Neutral sphingomyelinase | Smpd2
Type:
PROTEIN
Mol. Mass.:
47651.22
Organism:
Rattus norvegicus
Description:
ChEMBL_611790
Residue:
422
Sequence:
MKHNFSLRLRVFNLNCWDIPYLSKHRADRMKRLGDFLNLESFDLALLEEVWSEQDFQYLKQKLSLTYPDAHYFRSGIIGSGLCVFSRHPIQEIVQHVYTLNGYPYKFYHGDWFCGKAVGLLVLHLSGLVLNAYVTHLHAEYSRQKDIYFAHRVAQAWELAQFIHHTSKKANVVLLCGDLNMHPKDLGCCLLKEWTGLRDAFVETEDFKGSEDGCTMVPKNCYVSQQDLGPFPFGVRIDYVLYKAVSGFHICCKTLKTTTGCDPHNGTPFSDHEALMATLCVKHSPPQEDPCSAHGSAERSALISALREARTELGRGIAQARWWAALFGYVMILGLSLLVLLCVLAAGEEAREVAIMLWTPSVGLVLGAGAVYLFHKQEAKSLCRAQAEIQHVLTRTTETQDLGSEPHPTHCRQQEADRAEEK
  
Inhibitor
Name:
BDBM50100341
Synonyms:
(2E,4E,6E,12E)-(8R,10S,14R)-8,10,12,14-Tetramethyl-hexadeca-2,4,6,12-tetraenoic acid [(S)-1-hydroxymethyl-2-((1S,2S,6S)-2-hydroxy-3-oxo-7-oxa-bicyclo[4.1.0]hept-4-en-2-yl)-ethyl]-amide | CHEMBL418376
Type:
Small organic molecule
Emp. Form.:
C29H43NO5
Mol. Mass.:
485.6554
SMILES:
CC[C@@H](C)\C=C(/C)C[C@@H](C)C[C@@H](C)\C=C\C=C\C=C\C(=O)N[C@H](CO)C[C@]1(O)[C@H]2O[C@H]2C=CC1=O |c:32|
Structure:
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