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BDBM51917 2-[3-methyl-2-(phenoxymethyl)-1-benzimidazol-3-iumyl]acetic acid decyl ester;chloride::2-[3-methyl-2-(phenoxymethyl)benzimidazol-3-ium-1-yl]acetic acid decyl ester;chloride::MLS001174898::SMR000588023::cid_16236314::decyl 2-[3-methyl-2-(phenoxymethyl)benzimidazol-3-ium-1-yl]acetate;chloride::decyl 2-[3-methyl-2-(phenoxymethyl)benzimidazol-3-ium-1-yl]ethanoate;chloride

InChI string: InChI=1S/C27H37N2O3/c1-3-4-5-6-7-8-9-15-20-31-27(30)21-29-25-19-14-13-18-24(25)28(2)26(29)22-32-23-16-11-10-12-17-23/h10-14,16-19H,3-9,15,20-22H2,1-2H3/q+1

SMILES: CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12

InChI Key: InChIKey=FENPNARKWLPXNC-UHFFFAOYSA-N

Data: 4 IC50  3 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 7 hits for monomerid = 51917   
Target
(Institution)
LigandTarget
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
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51917
PNG
(2-[3-methyl-2-(phenoxymethyl)-1-benzimidazol-3-ium...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C27H37N2O3/c1-3-4-5-6-7-8-9-15-20-31-27(30)21-29-25-19-14-13-18-24(25)28(2)26(29)22-32-23-16-11-10-12-17-23/h10-14,16-19H,3-9,15,20-22H2,1-2H3/q+1
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PCBioAssay
n/an/an/an/a 6.00E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51917
PNG
(2-[3-methyl-2-(phenoxymethyl)-1-benzimidazol-3-ium...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C27H37N2O3/c1-3-4-5-6-7-8-9-15-20-31-27(30)21-29-25-19-14-13-18-24(25)28(2)26(29)22-32-23-16-11-10-12-17-23/h10-14,16-19H,3-9,15,20-22H2,1-2H3/q+1
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n/an/an/an/a 2.60E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM51917
PNG
(2-[3-methyl-2-(phenoxymethyl)-1-benzimidazol-3-ium...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C27H37N2O3/c1-3-4-5-6-7-8-9-15-20-31-27(30)21-29-25-19-14-13-18-24(25)28(2)26(29)22-32-23-16-11-10-12-17-23/h10-14,16-19H,3-9,15,20-22H2,1-2H3/q+1
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n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM51917
PNG
(2-[3-methyl-2-(phenoxymethyl)-1-benzimidazol-3-ium...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C27H37N2O3/c1-3-4-5-6-7-8-9-15-20-31-27(30)21-29-25-19-14-13-18-24(25)28(2)26(29)22-32-23-16-11-10-12-17-23/h10-14,16-19H,3-9,15,20-22H2,1-2H3/q+1
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n/an/a>1.00E+5n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM51917
PNG
(2-[3-methyl-2-(phenoxymethyl)-1-benzimidazol-3-ium...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C27H37N2O3/c1-3-4-5-6-7-8-9-15-20-31-27(30)21-29-25-19-14-13-18-24(25)28(2)26(29)22-32-23-16-11-10-12-17-23/h10-14,16-19H,3-9,15,20-22H2,1-2H3/q+1
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n/an/a 1.05E+4n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM51917
PNG
(2-[3-methyl-2-(phenoxymethyl)-1-benzimidazol-3-ium...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C27H37N2O3/c1-3-4-5-6-7-8-9-15-20-31-27(30)21-29-25-19-14-13-18-24(25)28(2)26(29)22-32-23-16-11-10-12-17-23/h10-14,16-19H,3-9,15,20-22H2,1-2H3/q+1
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n/an/a 1.26E+4n/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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM51917
PNG
(2-[3-methyl-2-(phenoxymethyl)-1-benzimidazol-3-ium...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C27H37N2O3/c1-3-4-5-6-7-8-9-15-20-31-27(30)21-29-25-19-14-13-18-24(25)28(2)26(29)22-32-23-16-11-10-12-17-23/h10-14,16-19H,3-9,15,20-22H2,1-2H3/q+1
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n/an/a>2.00E+4n/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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair