BDBM691403 US20240279174, Compound JH-LPH-33::US20240417387, Example JH-LPH-33

SMILES CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cc(cc(c4)Cl)C(F)(F)F

InChI Key InChIKey=PDEIRNVIXFZSSJ-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 691403   

TargetUDP-2,3-diacylglucosamine hydrolase()
Duke University

US Patent
LigandPNGBDBM691403(US20240279174, Compound JH-LPH-33 | US20240417387,...)
Affinity DataIC50: 104nMAssay Description:Briefly, two reaction mixtures were prepared. Mixture 1 contains 20 mM Tris-HCl (pH 8.0), 0.5 mg/mL BSA, 0.02% Triton X-100, 1 mM MnCl2, 1 mM DTT, 10...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2024
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetUDP-2,3-diacylglucosamine hydrolase()
Hoffmann-La Roche

US Patent
LigandPNGBDBM691403(US20240279174, Compound JH-LPH-33 | US20240417387,...)
Affinity DataIC50: 143nMAssay Description:The inhibitory potency of compounds of Escherichia coli UDP-2,3-diacylglucosamine hydrolase (LpxH) was determined in an enzymatic assay. UDP-2,3-diac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/1/2025
Entry Details
Go to US Patent