| Reaction Details |
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 | Report a problem with these data |
| Target | Sphingomyelin phosphodiesterase |
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| Ligand | BDBM55861 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1737276 (CHEMBL4153026) |
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| IC50 | 31623±n/a nM |
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| Citation |  Yang, K; Nong, K; Gu, Q; Dong, J; Wang, J Discovery of N-hydroxy-3-alkoxybenzamides as direct acid sphingomyelinase inhibitors using a ligand-based pharmacophore model. Eur J Med Chem151:389-400 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Sphingomyelin phosphodiesterase |
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| Name: | Sphingomyelin phosphodiesterase |
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| Synonyms: | 3.1.4.12 | ASM | ASM_HUMAN | Acid sphingomyelinase | SMPD1 | Sphingomyelin phosphodiesterase | aSMase |
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| Type: | PROTEIN |
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| Mol. Mass.: | 69945.03 |
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| Organism: | Homo sapiens |
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| Description: | ChEMBL_11570 |
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| Residue: | 631 |
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| Sequence: | MPRYGASLRQSCPRSGREQGQDGTAGAPGLLWMGLVLALALALALALALSDSRVLWAPAE
AHPLSPQGHPARLHRIVPRLRDVFGWGNLTCPICKGLFTAINLGLKKEPNVARVGSVAIK
LCNLLKIAPPAVCQSIVHLFEDDMVEVWRRSVLSPSEACGLLLGSTCGHWDIFSSWNISL
PTVPKPPPKPPSPPAPGAPVSRILFLTDLHWDHDYLEGTDPDCADPLCCRRGSGLPPASR
PGAGYWGEYSKCDLPLRTLESLLSGLGPAGPFDMVYWTGDIPAHDVWHQTRQDQLRALTT
VTALVRKFLGPVPVYPAVGNHESTPVNSFPPPFIEGNHSSRWLYEAMAKAWEPWLPAEAL
RTLRIGGFYALSPYPGLRLISLNMNFCSRENFWLLINSTDPAGQLQWLVGELQAAEDRGD
KVHIIGHIPPGHCLKSWSWNYYRIVARYENTLAAQFFGHTHVDEFEVFYDEETLSRPLAV
AFLAPSATTYIGLNPGYRVYQIDGNYSGSSHVVLDHETYILNLTQANIPGAIPHWQLLYR
ARETYGLPNTLPTAWHNLVYRMRGDMQLFQTFWFLYHKGHPPSEPCGTPCRLATLCAQLS
ARADSPALCRHLMPDGSLPEAQSLWPRPLFC
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| BDBM55861 |
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| n/a |
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| Name | BDBM55861 |
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| Synonyms: | 5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid octyl ester | 5-acetoxy-2-[(amidinothio)methyl]-6-bromo-1-methyl-indole-3-carboxylic acid octyl ester;hydrobromide | 5-acetyloxy-6-bromo-2-[(carbamimidoylthio)methyl]-1-methyl-3-indolecarboxylic acid octyl ester;hydrobromide | MLS001029434 | SMR000425551 | cid_16681981 | octyl 5-acetyloxy-6-bromanyl-2-(carbamimidoylsulfanylmethyl)-1-methyl-indole-3-carboxylate;hydrobromide | octyl 5-acetyloxy-6-bromo-2-(carbamimidoylsulfanylmethyl)-1-methylindole-3-carboxylate;hydrobromide |
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| Type | Small organic molecule |
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| Emp. Form. | C22H30BrN3O4S |
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| Mol. Mass. | 512.46 |
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| SMILES | CCCCCCCCOC(=O)c1c(CSC(N)=N)n(C)c2cc(Br)c(OC(C)=O)cc12 |
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| Structure | 
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