BDBM81508 Bisdionin C

SMILES Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C

InChI Key InChIKey=KEPIKAFUZRKZMT-UHFFFAOYSA-N

Data  5 IC50

PDB links: 3 PDB IDs match 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 5 hits for monomerid = 81508   

TargetAcidic mammalian chitinase(Human)
University of Edinburgh

LigandPNGBDBM81508(Bisdionin C)
Affinity DataIC50: 2.00E+4nMpH: 5.2 T: 2°CAssay Description:Chitnase inhibition by bisdionin compounds.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetChitotriosidase-1(Human)
University of Edinburgh

LigandPNGBDBM81508(Bisdionin C)
Affinity DataIC50: 8.30E+3nMpH: 5.2 T: 2°CAssay Description:Chitnase inhibition by bisdionin compounds.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2011
Entry Details Article
PubMed
TargetEndochitinase B1(Neosartorya fumigata)
TBA

Curated by ChEMBL
LigandPNGBDBM81508(Bisdionin C)
Affinity DataIC50: 200nMAssay Description:Inhibition of Aspergillus fumigatus ChitinaseB1 expressed in Escherichia coli using 4-methyumbelliferyl-beta-B-N,N'-diacetylchitobiose after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetAcidic mammalian chitinase(Mouse)
TBA

Curated by ChEMBL
LigandPNGBDBM81508(Bisdionin C)
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of AMCase in BALB/c mouse lung homogenate using 4-methyumbelliferyl-beta-B-N,N'-diacetylchitobiose after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetEndochitinase A1(Neosartorya fumigata)
TBA

Curated by ChEMBL
LigandPNGBDBM81508(Bisdionin C)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of Aspergillus fumigatus chitinaseA1 using 4-methyumbelliferyl-beta-B-N,N'-triacetylchitotriose as substrate after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed