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BDBM54197 (1-heptyl-4-pyridylidene)amine;hydroiodide::1-Heptyl-1H-pyridin-4-ylideneamine::1-heptyl-4-pyridinimine;hydroiodide::1-heptylpyridin-4-imine;hydroiodide::MLS000554047::SMR000146364::cid_9551797

SMILES: CCCCCCCn1ccc(=N)cc1

InChI Key: InChIKey=HUYPSCQORIFAKE-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 54197   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM54197
PNG
((1-heptyl-4-pyridylidene)amine;hydroiodide | 1-Hep...)
Show SMILES CCCCCCCn1ccc(=N)cc1
Show InChI InChI=1S/C12H20N2/c1-2-3-4-5-6-9-14-10-7-12(13)8-11-14/h7-8,10-11,13H,2-6,9H2,1H3
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PCBioAssay
n/an/a 6.34E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM54197
PNG
((1-heptyl-4-pyridylidene)amine;hydroiodide | 1-Hep...)
Show SMILES CCCCCCCn1ccc(=N)cc1
Show InChI InChI=1S/C12H20N2/c1-2-3-4-5-6-9-14-10-7-12(13)8-11-14/h7-8,10-11,13H,2-6,9H2,1H3
PDB
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n/an/an/an/a 6.12E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CN72C0
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM54197
PNG
((1-heptyl-4-pyridylidene)amine;hydroiodide | 1-Hep...)
Show SMILES CCCCCCCn1ccc(=N)cc1
Show InChI InChI=1S/C12H20N2/c1-2-3-4-5-6-9-14-10-7-12(13)8-11-14/h7-8,10-11,13H,2-6,9H2,1H3
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n/an/a 2.51E+3n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2862DX0
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM54197
PNG
((1-heptyl-4-pyridylidene)amine;hydroiodide | 1-Hep...)
Show SMILES CCCCCCCn1ccc(=N)cc1
Show InChI InChI=1S/C12H20N2/c1-2-3-4-5-6-9-14-10-7-12(13)8-11-14/h7-8,10-11,13H,2-6,9H2,1H3
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KEGG

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UniChem

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PCBioAssay
n/an/a 1.83E+3n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q24F1P6P
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM54197
PNG
((1-heptyl-4-pyridylidene)amine;hydroiodide | 1-Hep...)
Show SMILES CCCCCCCn1ccc(=N)cc1
Show InChI InChI=1S/C12H20N2/c1-2-3-4-5-6-9-14-10-7-12(13)8-11-14/h7-8,10-11,13H,2-6,9H2,1H3
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n/an/a 5.72E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25M6443
More data for this
Ligand-Target Pair