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BDBM16271 (2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]-4-hydroxy-2,7-dimethyl-5-{[(4S,7S)-2,5,9-trioxo-4-(propan-2-yl)-1-oxa-3,6,10-triazacyclohexadecan-7-yl]formamido}octanamide::amide-urethane derived inhibitor 2c
SMILES: CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
InChI Key: InChIKey=QJAPFAZHNSZLJE-UHFFFAOYSA-N
Data: 2 KI
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Beta-secretase 1 (Human) | BDBM16271![]() ((2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpro...) | GoogleScholar | UniChem | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-secretase 1 (Human) | BDBM16271![]() ((2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpro...) | GoogleScholar | UniChem | 25.1 | -10.8 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||