BDBM41103 6-amino-3-butyl-1'-ethyl-2'-keto-spiro[2H-pyrano[2,3-c]pyrazole-4,3'-indoline]-5-carbonitrile::6-amino-3-butyl-1'-ethyl-2'-oxo-5-spiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]carbonitrile::6-amino-3-butyl-1'-ethyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile::6-azanyl-3-butyl-1'-ethyl-2'-oxidanylidene-spiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile::MLS000082088::SMR000045146::cid_664136

SMILES CCCCc1[nH]nc2OC(=N)C(C#N)C3(C(=O)N(CC)c4ccccc34)c12

InChI Key InChIKey=NDDQDUMCAOPPMF-UHFFFAOYSA-N

Data  3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 41103   

TargetCathepsin B(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM41103(6-amino-3-butyl-1'-ethyl-2'-oxospiro[2H-pyrano[2,3...)
Affinity DataIC50: 5.00E+4nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2011
Entry Details
PCBioAssay
TargetProcathepsin L(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM41103(6-amino-3-butyl-1'-ethyl-2'-oxospiro[2H-pyrano[2,3...)
Affinity DataIC50: 5.00E+4nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
LigandPNGBDBM41103(6-amino-3-butyl-1'-ethyl-2'-oxospiro[2H-pyrano[2,3...)
Affinity DataIC50: 5.40E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay