| Reaction Details |
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 | Report a problem with these data |
| Target | Sphingomyelin phosphodiesterase |
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| Ligand | BDBM95130 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1737276 (CHEMBL4153026) |
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| IC50 | 19953±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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| BDBM95130 |
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| n/a |
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| Name | BDBM95130 |
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| Synonyms: | 6-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione | 6-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazino]sulfonyl-1,4-dihydroquinoxaline-2,3-quinone | 6-methyl-7-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]-1,4-dihydroquinoxaline-2,3-dione | MLS001126413 | SMR000629355 | cid_16021624 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H19F3N4O4S |
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| Mol. Mass. | 468.449 |
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| SMILES | Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
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| Structure | 
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