BDBM35522 2-spiro[5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazoline-9,1'-cyclohexane]amine::MLS000111227::SMR000107153::cid_5310676::spiro[5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazoline-9,1'-cyclohexane]-2-amine::spiro[5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazoline-9,1'-cyclohexane]-2-ylamine

SMILES Nc1nc2N=C3CCCCC3C3(CCCCC3)n2n1

InChI Key InChIKey=MMFXTANLFDSSKH-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 35522   

TargetCathepsin B(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM35522(SMR000107153 | MLS000111227 | 2-spiro[5,6,7,8-tetr...)
Affinity DataIC50: 1.29E+4nMpH: 6.8 T: 2°CAssay 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:
12/17/2009
Entry Details
PCBioAssay
TargetCathepsin B(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM35522(SMR000107153 | MLS000111227 | 2-spiro[5,6,7,8-tetr...)
Affinity DataIC50: 1.29E+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
LigandPNGBDBM35522(SMR000107153 | MLS000111227 | 2-spiro[5,6,7,8-tetr...)
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