BDBM248063 SMY-540

SMILES CCCCCC(=O)N[C@@H](COCc1cccc(n1)-c1ccccn1)[C@H](O)c1ccccc1

InChI Key InChIKey=OOIDUPZQOKFSOW-UHFFFAOYSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 248063   

TargetSphingomyelinase C(Bacillus cereus)
TBA

Curated by ChEMBL
LigandPNGBDBM248063(SMY-540)
Affinity DataIC50: 800nMAssay Description:Inhibition of Bacillus cereus SMaseCMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetSphingomyelinase C(Bacillus cereus)
TBA

Curated by ChEMBL
LigandPNGBDBM248063(SMY-540)
Affinity DataKi:  1.30E+3nM ΔG°:  -8.35kcal/mole IC50: 800nMpH: 7.5 T: 2°CAssay Description:Briefly, Bc-SMase (50 ng/ml) was treated at 37 °C for 60 min with various compounds that were solubilized in dimethylacetoamide. The reaction mix...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/6/2017
Entry Details Article
PubMed
TargetSphingomyelinase C(Bacillus cereus)
TBA

Curated by ChEMBL
LigandPNGBDBM248063(SMY-540)
Affinity DataKi:  1.30E+3nMAssay Description:Competitive inhibition of Bacillus cereus SMaseC assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed