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SMILES: Cn1cc(\C=C\c2cc[n+](C)cc2)c2cc(Cl)ccc12

InChI Key: InChIKey=HQWXUJUGUGALEC-UHFFFAOYSA-N

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 2 hits for monomerid = 64836   
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 protein 1


(Homo sapiens (Human))
BDBM64836
PNG
(5-chloranyl-1-methyl-3-[(E)-2-(1-methylpyridin-1-i...)
Show SMILES Cn1cc(\C=C\c2cc[n+](C)cc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C17H16ClN2/c1-19-9-7-13(8-10-19)3-4-14-12-20(2)17-6-5-15(18)11-16(14)17/h3-12H,1-2H3/q+1
PDB
MMDB

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KEGG

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B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.17E+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 Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F47MKR
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM64836
PNG
(5-chloranyl-1-methyl-3-[(E)-2-(1-methylpyridin-1-i...)
Show SMILES Cn1cc(\C=C\c2cc[n+](C)cc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C17H16ClN2/c1-19-9-7-13(8-10-19)3-4-14-12-20(2)17-6-5-15(18)11-16(14)17/h3-12H,1-2H3/q+1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.42E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair