BDBM34598 MLS000094981::SMR000030532::cid_3236301

SMILES CCc1nc2c3no[n+]([O-])c3c3non(O)c3c2n1

InChI Key InChIKey=DCQSADDNJAFBHP-UHFFFAOYSA-N

Data  4 IC50  3 EC50

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 7 hits for monomerid = 34598   

TargetMannose-6-phosphate isomerase(Homo sapiens (Human))
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34598(MLS000094981 | SMR000030532 | cid_3236301)
Show SMILES CCc1nc2c3no[n+]([O-])c3c3non(O)c3c2n1
Show InChI InChI=1S/C9H6N6O4/c1-2-3-10-4-5(11-3)8-7(13-19-14(8)16)9-6(4)12-18-15(9)17/h16H,2H2,1H3
Affinity DataIC50: 5.00E+4nMpH: 7.4 T: 2°CAssay Description:The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMannose-6-phosphate isomerase(Homo sapiens (Human))
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34598(MLS000094981 | SMR000030532 | cid_3236301)
Show SMILES CCc1nc2c3no[n+]([O-])c3c3non(O)c3c2n1
Show InChI InChI=1S/C9H6N6O4/c1-2-3-10-4-5(11-3)8-7(13-19-14(8)16)9-6(4)12-18-15(9)17/h16H,2H2,1H3
Affinity DataIC50: 5.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM34598(MLS000094981 | SMR000030532 | cid_3236301)
Show SMILES CCc1nc2c3no[n+]([O-])c3c3non(O)c3c2n1
Show InChI InChI=1S/C9H6N6O4/c1-2-3-10-4-5(11-3)8-7(13-19-14(8)16)9-6(4)12-18-15(9)17/h16H,2H2,1H3
Affinity DataEC50:  6.16E+3nMAssay 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
Ligand InfoPC cidPC sid
TargetGalanin receptor type 3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34598(MLS000094981 | SMR000030532 | cid_3236301)
Show SMILES CCc1nc2c3no[n+]([O-])c3c3non(O)c3c2n1
Show InChI InChI=1S/C9H6N6O4/c1-2-3-10-4-5(11-3)8-7(13-19-14(8)16)9-6(4)12-18-15(9)17/h16H,2H2,1H3
Affinity DataIC50: 2.06E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM34598(MLS000094981 | SMR000030532 | cid_3236301)
Show SMILES CCc1nc2c3no[n+]([O-])c3c3non(O)c3c2n1
Show InChI InChI=1S/C9H6N6O4/c1-2-3-10-4-5(11-3)8-7(13-19-14(8)16)9-6(4)12-18-15(9)17/h16H,2H2,1H3
Affinity DataEC50:  337nMAssay 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
Ligand InfoPC cidPC sid
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM34598(MLS000094981 | SMR000030532 | cid_3236301)
Show SMILES CCc1nc2c3no[n+]([O-])c3c3non(O)c3c2n1
Show InChI InChI=1S/C9H6N6O4/c1-2-3-10-4-5(11-3)8-7(13-19-14(8)16)9-6(4)12-18-15(9)17/h16H,2H2,1H3
Affinity DataIC50: 1.15E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock factor protein 1(Mus musculus)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM34598(MLS000094981 | SMR000030532 | cid_3236301)
Show SMILES CCc1nc2c3no[n+]([O-])c3c3non(O)c3c2n1
Show InChI InChI=1S/C9H6N6O4/c1-2-3-10-4-5(11-3)8-7(13-19-14(8)16)9-6(4)12-18-15(9)17/h16H,2H2,1H3
Affinity DataEC50:  7.63E+3nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid