BDBM81508 Bisdionin C

SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12

InChI Key InChIKey=KEPIKAFUZRKZMT-UHFFFAOYSA-N

Data  5 IC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 81508   

TargetAcidic mammalian chitinase(Homo sapiens (Human))
University of Edinburgh

LigandBDBM81508(Bisdionin C)Copy SMILESCopy InChI

Affinity DataIC50:  2.00E+4nMpH: 5.2 T: 2°CAssay Description:Chitnase inhibition by bisdionin compounds.More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPurchaseMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
Copy BDB DOI

TargetChitotriosidase-1(Homo sapiens (Human))
University of Edinburgh

LigandBDBM81508(Bisdionin C)Copy SMILESCopy InChI

Affinity DataIC50:  8.30E+3nMpH: 5.2 T: 2°CAssay Description:Chitnase inhibition by bisdionin compounds.More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetEndochitinase A1(Neosartorya fumigata (Aspergillus fumigatus))
TBA

Curated by ChEMBL

LigandBDBM81508(Bisdionin C)Copy SMILESCopy InChI

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

Target InfoPDBMMDB
UniProtKB/SwissProt
B.MOADGoogleScholar

Ligand InfoPurchaseMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetAcidic mammalian chitinase(Mus musculus)
TBA

Curated by ChEMBL

LigandBDBM81508(Bisdionin C)Copy SMILESCopy InChI

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

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetEndochitinase B1(Aspergillus fumigatus)
TBA

Curated by ChEMBL

LigandBDBM81508(Bisdionin C)Copy SMILESCopy InChI

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

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoPurchaseMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI