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BDBM27937 (2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-{[(4-fluorophenyl)(methyl)carbamoyl]amino}-octahydrocyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide::Azabicyclooctane scaffold, 14t
SMILES: [H][C@]12CC[C@H](NC(=O)N(C)c3ccc(F)cc3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C
InChI Key: InChIKey=PCAICZHRVPCSTE-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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase XIAP [241-356] (Human) | BDBM27937![]() ((2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-{[(4-fluorophenyl)(...) | GoogleScholar | UniChem | 580 | 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 | |||||||||||||
| Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] (Human) | BDBM27937![]() ((2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-{[(4-fluorophenyl)(...) | GoogleScholar | UniChem | 740 | -8.27 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||