BDBM31689 1'-acetyl-6-amino-3-methyl-5-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]carbonitrile::1'-acetyl-6-amino-3-methyl-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile::1'-acetyl-6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile::6-azanyl-1'-ethanoyl-3-methyl-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile::MLS000034955::SMR000014520::cid_645612

SMILES CC(=O)N1CCC2(CC1)C(C#N)C(=N)Oc1n[nH]c(C)c21

InChI Key InChIKey=NHJAAJLJANQQKZ-UHFFFAOYSA-N

Data  3 IC50  2 EC50

  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 = 31689   

TargetHeat shock 70 kDa protein 1A(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31689(1'-acetyl-6-amino-3-methyl-5-spiro[2H-pyrano[2,3-c...)
Affinity DataIC50:  1.00E+5nMpH: 7.0 T: 2°CAssay Description:Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetHeat shock 70 kDa protein 1A(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31689(1'-acetyl-6-amino-3-methyl-5-spiro[2H-pyrano[2,3-c...)
Affinity DataIC50: >1.00E+5nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM31689(1'-acetyl-6-amino-3-methyl-5-spiro[2H-pyrano[2,3-c...)
Affinity DataEC50:  1.36E+3nMAssay Description:Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM31689(1'-acetyl-6-amino-3-methyl-5-spiro[2H-pyrano[2,3-c...)
Affinity DataEC50:  1.49E+4nMAssay Description:Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetHeat shock cognate 71 kDa protein(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31689(1'-acetyl-6-amino-3-methyl-5-spiro[2H-pyrano[2,3-c...)
Affinity DataIC50:  9.99E+5nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay