BDBM50354823 CHEMBL88580

SMILES c1cnc(nc1)N

InChI Key InChIKey=LJXQPZWIHJMPQQ-UHFFFAOYSA-N

Data  1 KI  1 IC50  1 Kd

PDB links: 7 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50354823   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
U.S. Army Medical Research Institute of Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM50354823(CHEMBL88580)
Affinity DataIC50: 4.60E+3nMAssay Description:Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2019
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50354823(CHEMBL88580)
Affinity DataKd:  1.90E+4nMAssay Description:Binding affinity to human HSP90alpha assessed as 2D1H-15N chemical shift perturbation by NMR spectroscopyMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetNeutrophil cytosol factor 1(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50354823(CHEMBL88580)
Affinity DataKi: >2.00E+6nMAssay Description:Covalent inhibition of recombinant human His-tagged p47phox SH3A-B domain (151 to 285 residues) expressed in Escherichia coli BL21 (DE3) cells intera...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed