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BDBM22219 1,2,4-oxadiazole based compound, 36::1-{[4-(5-{4-[(1S)-3,3-difluorocyclopentyl]phenyl}-1,2,4-oxadiazol-3-yl)phenyl]methyl}azetidine-3-carboxylic acid
SMILES: OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)[C@H]2CCC(F)(F)C2)C1
InChI Key: InChIKey=QIPIWIXFCSCVEI-UHFFFAOYSA-N
Data: 4 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 1 (Human) | BDBM22219![]() (1-{[4-(5-{4-[(1S)-3,3-difluorocyclopentyl]phenyl}-...) | GoogleScholar | UniChem | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | 7.5 | 22 | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sphingosine 1-phosphate receptor 3 (Human) | BDBM22219![]() (1-{[4-(5-{4-[(1S)-3,3-difluorocyclopentyl]phenyl}-...) | GoogleScholar | UniChem | n/a | n/a | 4.28E+3 | n/a | n/a | n/a | n/a | n/a | 25 | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sphingosine 1-phosphate receptor 4 (Human) | BDBM22219![]() (1-{[4-(5-{4-[(1S)-3,3-difluorocyclopentyl]phenyl}-...) | GoogleScholar | UniChem | n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | 25 | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sphingosine 1-phosphate receptor 5 (Human) | BDBM22219![]() (1-{[4-(5-{4-[(1S)-3,3-difluorocyclopentyl]phenyl}-...) | GoogleScholar | UniChem | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | 25 | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||