| Reaction Details |
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 | Report a problem with these data |
| Target | Sphingomyelin phosphodiesterase 3 |
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| Ligand | BDBM50540372 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Fluorescence Based Assay |
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| IC50 | 200±n/a nM |
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| Citation |  Slusher, B; Rojas, C; Thomas, AG; Nencka, R; Sala, M; Hrebabecky, H; Haughey, N Small molecule inhibitors of neutral sphingomyelinase 2 (nSMase2) for the treatment of neurodegenerative diseases US Patent US11427590 Publication Date 8/30/2022 |
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| More Info.: | Get all data from this article, Assay Method |
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| Sphingomyelin phosphodiesterase 3 |
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| Name: | Sphingomyelin phosphodiesterase 3 |
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| Synonyms: | 3.1.4.12 | NSMA2_HUMAN | Neutral sphingomyelinase 2 | Neutral sphingomyelinase II | SMPD3 | Sphingomyelin phosphodiesterase 3 | nSMase-2 | nSMase2 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 71072.54 |
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| Organism: | Homo sapiens |
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| Description: | ChEMBL_119220 |
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| Residue: | 655 |
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| Sequence: | MVLYTTPFPNSCLSALHCVSWALIFPCYWLVDRLAASFIPTTYEKRQRADDPCCLQLLCT
ALFTPIYLALLVASLPFAFLGFLFWSPLQSARRPYIYSRLEDKGLAGGAALLSEWKGTGP
GKSFCFATANVCLLPDSLARVNNLFNTQARAKEIGQRIRNGAARPQIKIYIDSPTNTSIS
AASFSSLVSPQGGDGVARAVPGSIKRTASVEYKGDGGRHPGDEAANGPASGDPVDSSSPE
DACIVRIGGEEGGRPPEADDPVPGGQARNGAGGGPRGQTPNHNQQDGDSGSLGSPSASRE
SLVKGRAGPDTSASGEPGANSKLLYKASVVKKAAARRRRHPDEAFDHEVSAFFPANLDFL
CLQEVFDKRAATKLKEQLHGYFEYILYDVGVYGCQGCCSFKCLNSGLLFASRYPIMDVAY
HCYPNKCNDDALASKGALFLKVQVGSTPQDQRIVGYIACTHLHAPQEDSAIRCGQLDLLQ
DWLADFRKSTSSSSAANPEELVAFDVVCGDFNFDNCSSDDKLEQQHSLFTHYRDPCRLGP
GEEKPWAIGTLLDTNGLYDEDVCTPDNLQKVLESEEGRREYLAFPTSKSSGQKGRKELLK
GNGRRIDYMLHAEEGLCPDWKAEVEEFSFITQLSGLTDHLPVAMRLMVSSGEEEA
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| BDBM50540372 |
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| n/a |
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| Name | BDBM50540372 |
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| Synonyms: | CHEMBL4648184 | US11427590, Entry 42 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H31N5O4 |
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| Mol. Mass. | 501.5768 |
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| SMILES | COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(=O)Oc1cccc(C)c1 |r| |
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| Structure | 
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