| Reaction Details |
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 | Report a problem with these data |
| Target | Presenilin-1 |
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| Ligand | BDBM50543122 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1988632 (CHEMBL4622179) |
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| IC50 | 14±n/a nM |
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| Citation |  Rodríguez Sarmiento, RM; Bissantz, C; Bylund, J; Limberg, A; Neidhart, W; Jakob-Roetne, R; Wang, L; Baumann, K Stepwise Design of ?-Secretase Modulators with an Advanced Profile by Judicious Coordinated Structural Replacements and an Unconventional Phenyl Ring Bioisostere. J Med Chem63:8534-8553 (2020) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Presenilin-1 |
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| Name: | Presenilin-1 |
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| Synonyms: | 3.4.23.- | AD3 | Gamma-Secretase Subunit Presenilin-1 | PS-1 | PS1 | PS1-CTF12 | PSEN1 | PSN1_HUMAN | PSNL1 | Presenilin-1 CTF subunit | Presenilin-1 CTF12 | Presenilin-1 NTF subunit | Protein S182 |
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| Type: | n/a |
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| Mol. Mass.: | 52657.13 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P49768 |
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| Residue: | 467 |
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| Sequence: | MTELPAPLSYFQNAQMSEDNHLSNTVRSQNDNRERQEHNDRRSLGHPEPLSNGRPQGNSR
QVVEQDEEEDEELTLKYGAKHVIMLFVPVTLCMVVVVATIKSVSFYTRKDGQLIYTPFTE
DTETVGQRALHSILNAAIMISVIVVMTILLVVLYKYRCYKVIHAWLIISSLLLLFFFSFI
YLGEVFKTYNVAVDYITVALLIWNFGVVGMISIHWKGPLRLQQAYLIMISALMALVFIKY
LPEWTAWLILAVISVYDLVAVLCPKGPLRMLVETAQERNETLFPALIYSSTMVWLVNMAE
GDPEAQRRVSKNSKYNAESTERESQDTVAENDDGGFSEEWEAQRDSHLGPHRSTPESRAA
VQELSSSILAGEDPEERGVKLGLGDFIFYSVLVGKASATASGDWNTTIACFVAILIGLCL
TLLLLAIFKKALPALPISITFGLVFYFATDYLVQPFMDQLAFHQFYI
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| BDBM50543122 |
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| n/a |
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| Name | BDBM50543122 |
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| Synonyms: | CHEMBL4638946 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H24F3N7OS |
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| Mol. Mass. | 467.511 |
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| SMILES | [H][C@]12CC[C@]([H])(CN(C1)c1nc(C)ns1)[C@H]2Nc1nc2c(OCCCC(F)(F)F)cccn2n1 |r,TLB:9:7:15:3.2| |
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| Structure | 
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