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BDBM10342 (S)-1-(4-Methylthiobenzyl)-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione::1-{[4-(methylsulfanyl)phenyl]methyl}-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Azetidine Isatin Analogue 18d
SMILES: CSc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1
InChI Key: InChIKey=IEGXKLYPPWABDL-UHFFFAOYSA-N
Data: 6 IC50
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caspase-3 (Human) | BDBM10342![]() (1-{[4-(methylsulfanyl)phenyl]methyl}-5-{[(2S)-2-(p...) | GoogleScholar | UniChem | n/a | n/a | 11.3 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Caspase-7 (Human) | BDBM10342![]() (1-{[4-(methylsulfanyl)phenyl]methyl}-5-{[(2S)-2-(p...) | GoogleScholar | UniChem | n/a | n/a | 26.7 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Caspase-1 (Human) | BDBM10342![]() (1-{[4-(methylsulfanyl)phenyl]methyl}-5-{[(2S)-2-(p...) | GoogleScholar | UniChem | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Caspase-6 (Human) | BDBM10342![]() (1-{[4-(methylsulfanyl)phenyl]methyl}-5-{[(2S)-2-(p...) | GoogleScholar | UniChem | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Caspase-8 (Human) | BDBM10342![]() (1-{[4-(methylsulfanyl)phenyl]methyl}-5-{[(2S)-2-(p...) | GoogleScholar | UniChem | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Caspase-3 (Human) | BDBM10342![]() (1-{[4-(methylsulfanyl)phenyl]methyl}-5-{[(2S)-2-(p...) | GoogleScholar | UniChem | n/a | n/a | 11.2 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||