| Reaction Details |
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 | Report a problem with these data |
| Target | Presenilin-1 |
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| Ligand | BDBM50485446 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_829023 (CHEMBL2060673) |
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| IC50 | 9.6±n/a nM |
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| Citation |  Stepan, AF; Subramanyam, C; Efremov, IV; Dutra, JK; O'Sullivan, TJ; DiRico, KJ; McDonald, WS; Won, A; Dorff, PH; Nolan, CE; Becker, SL; Pustilnik, LR; Riddell, DR; Kauffman, GW; Kormos, BL; Zhang, L; Lu, Y; Capetta, SH; Green, ME; Karki, K; Sibley, E; Atchison, KP; Hallgren, AJ; Oborski, CE; Robshaw, AE; Sneed, B; O'Donnell, CJ Application of the bicyclo[1.1.1]pentane motif as a nonclassical phenyl ring bioisostere in the design of a potent and orally active ?-secretase inhibitor. J Med Chem55:3414-24 (2012) [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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| BDBM50485446 |
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| n/a |
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| Name | BDBM50485446 |
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| Synonyms: | CHEMBL2059015 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H17ClF3N3O3S |
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| Mol. Mass. | 423.838 |
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| SMILES | NC(=O)[C@@H](CCC(F)(F)F)N(CC1(CC1)C#N)S(=O)(=O)c1ccc(Cl)cc1 |r| |
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| Structure | 
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