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BDBM61634 1-allyl-2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]indole;iodide::2-methyl-3-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-1-prop-2-enylindole;iodide::2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1-prop-2-enyl-indole;iodide::2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1-prop-2-enylindole;iodide::4-[(E)-2-(1-Allyl-2-methyl-1H-indol-3-yl)-vinyl]-1-methyl-pyridinium::MLS001210236::SMR000504344::cid_23724408

SMILES: Cc1c(\C=C\c2cc[n+](C)cc2)c2ccccc2n1CC=C

InChI Key: InChIKey=WEKCHQWIHXMXIP-UHFFFAOYSA-N

Data: 5 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 6 hits for monomerid = 61634   
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
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61634
PNG
(1-allyl-2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4...)
Show SMILES Cc1c(\C=C\c2cc[n+](C)cc2)c2ccccc2n1CC=C
Show InChI InChI=1S/C20H21N2/c1-4-13-22-16(2)18(19-7-5-6-8-20(19)22)10-9-17-11-14-21(3)15-12-17/h4-12,14-15H,1,13H2,2-3H3/q+1
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n/an/a 1.97E+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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61634
PNG
(1-allyl-2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4...)
Show SMILES Cc1c(\C=C\c2cc[n+](C)cc2)c2ccccc2n1CC=C
Show InChI InChI=1S/C20H21N2/c1-4-13-22-16(2)18(19-7-5-6-8-20(19)22)10-9-17-11-14-21(3)15-12-17/h4-12,14-15H,1,13H2,2-3H3/q+1
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n/an/a 2.79E+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
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM61634
PNG
(1-allyl-2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4...)
Show SMILES Cc1c(\C=C\c2cc[n+](C)cc2)c2ccccc2n1CC=C
Show InChI InChI=1S/C20H21N2/c1-4-13-22-16(2)18(19-7-5-6-8-20(19)22)10-9-17-11-14-21(3)15-12-17/h4-12,14-15H,1,13H2,2-3H3/q+1
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n/an/a 1.63E+4n/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))
BDBM61634
PNG
(1-allyl-2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4...)
Show SMILES Cc1c(\C=C\c2cc[n+](C)cc2)c2ccccc2n1CC=C
Show InChI InChI=1S/C20H21N2/c1-4-13-22-16(2)18(19-7-5-6-8-20(19)22)10-9-17-11-14-21(3)15-12-17/h4-12,14-15H,1,13H2,2-3H3/q+1
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n/an/a>1.00E+5n/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
cardiac alpha tropomyosin


(Sus scrofa)
BDBM61634
PNG
(1-allyl-2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4...)
Show SMILES Cc1c(\C=C\c2cc[n+](C)cc2)c2ccccc2n1CC=C
Show InChI InChI=1S/C20H21N2/c1-4-13-22-16(2)18(19-7-5-6-8-20(19)22)10-9-17-11-14-21(3)15-12-17/h4-12,14-15H,1,13H2,2-3H3/q+1
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n/an/an/an/a 1.88E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM61634
PNG
(1-allyl-2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4...)
Show SMILES Cc1c(\C=C\c2cc[n+](C)cc2)c2ccccc2n1CC=C
Show InChI InChI=1S/C20H21N2/c1-4-13-22-16(2)18(19-7-5-6-8-20(19)22)10-9-17-11-14-21(3)15-12-17/h4-12,14-15H,1,13H2,2-3H3/q+1
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n/an/a 4.99E+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