BDBM248061 SMY-471

SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COCc1cccc(n1)-c1ccccn1

InChI Key InChIKey=YAHKEYSOXIOPGY-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 = 248061   

TargetSphingomyelinase C(Bacillus cereus)
TBA

Curated by ChEMBL
LigandPNGBDBM248061(SMY-471)
Affinity DataIC50: 900nMAssay 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
LigandPNGBDBM248061(SMY-471)
Affinity DataKi:  2.80E+3nM ΔG°:  -7.87kcal/mole IC50: 900nMpH: 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
LigandPNGBDBM248061(SMY-471)
Affinity DataKi:  2.80E+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