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SMILES: COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12

InChI Key: InChIKey=QXNGSBMMEOFHHP-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 10 hits for monomerid = 52304   
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
POsterior Segregation


(Caenorhabditis elegans)
BDBM52304
PNG
(1-(3-Methoxy-propyl)-3-(1-methyl-1H-benzoimidazol-...)
Show SMILES COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12 |(9.35,-7.82,;8.88,-6.36,;9.91,-5.21,;9.43,-3.75,;10.46,-2.6,;9.98,-1.14,;10.88,.1,;12.42,.1,;9.98,1.34,;10.46,2.81,;11.91,3.28,;11.92,4.81,;13.07,5.83,;12.75,7.34,;11.28,7.82,;10.14,6.79,;10.46,5.28,;9.56,4.05,;8.02,4.05,;8.52,.87,;7.19,1.64,;5.85,.87,;4.48,1.7,;3.08,.91,;3.08,-.7,;4.48,-1.49,;5.85,-.67,;7.19,-1.44,;8.52,-.67,)|
Show InChI InChI=1S/C22H22N6O/c1-27-17-11-6-5-10-16(17)26-21(27)18-19-22(28(20(18)23)12-7-13-29-2)25-15-9-4-3-8-14(15)24-19/h3-6,8-11H,7,12-13,23H2,1-2H3
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n/an/an/an/a 4.04E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM52304
PNG
(1-(3-Methoxy-propyl)-3-(1-methyl-1H-benzoimidazol-...)
Show SMILES COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12 |(9.35,-7.82,;8.88,-6.36,;9.91,-5.21,;9.43,-3.75,;10.46,-2.6,;9.98,-1.14,;10.88,.1,;12.42,.1,;9.98,1.34,;10.46,2.81,;11.91,3.28,;11.92,4.81,;13.07,5.83,;12.75,7.34,;11.28,7.82,;10.14,6.79,;10.46,5.28,;9.56,4.05,;8.02,4.05,;8.52,.87,;7.19,1.64,;5.85,.87,;4.48,1.7,;3.08,.91,;3.08,-.7,;4.48,-1.49,;5.85,-.67,;7.19,-1.44,;8.52,-.67,)|
Show InChI InChI=1S/C22H22N6O/c1-27-17-11-6-5-10-16(17)26-21(27)18-19-22(28(20(18)23)12-7-13-29-2)25-15-9-4-3-8-14(15)24-19/h3-6,8-11H,7,12-13,23H2,1-2H3
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n/an/an/an/a 4.06E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM52304
PNG
(1-(3-Methoxy-propyl)-3-(1-methyl-1H-benzoimidazol-...)
Show SMILES COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12 |(9.35,-7.82,;8.88,-6.36,;9.91,-5.21,;9.43,-3.75,;10.46,-2.6,;9.98,-1.14,;10.88,.1,;12.42,.1,;9.98,1.34,;10.46,2.81,;11.91,3.28,;11.92,4.81,;13.07,5.83,;12.75,7.34,;11.28,7.82,;10.14,6.79,;10.46,5.28,;9.56,4.05,;8.02,4.05,;8.52,.87,;7.19,1.64,;5.85,.87,;4.48,1.7,;3.08,.91,;3.08,-.7,;4.48,-1.49,;5.85,-.67,;7.19,-1.44,;8.52,-.67,)|
Show InChI InChI=1S/C22H22N6O/c1-27-17-11-6-5-10-16(17)26-21(27)18-19-22(28(20(18)23)12-7-13-29-2)25-15-9-4-3-8-14(15)24-19/h3-6,8-11H,7,12-13,23H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM52304
PNG
(1-(3-Methoxy-propyl)-3-(1-methyl-1H-benzoimidazol-...)
Show SMILES COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12 |(9.35,-7.82,;8.88,-6.36,;9.91,-5.21,;9.43,-3.75,;10.46,-2.6,;9.98,-1.14,;10.88,.1,;12.42,.1,;9.98,1.34,;10.46,2.81,;11.91,3.28,;11.92,4.81,;13.07,5.83,;12.75,7.34,;11.28,7.82,;10.14,6.79,;10.46,5.28,;9.56,4.05,;8.02,4.05,;8.52,.87,;7.19,1.64,;5.85,.87,;4.48,1.7,;3.08,.91,;3.08,-.7,;4.48,-1.49,;5.85,-.67,;7.19,-1.44,;8.52,-.67,)|
Show InChI InChI=1S/C22H22N6O/c1-27-17-11-6-5-10-16(17)26-21(27)18-19-22(28(20(18)23)12-7-13-29-2)25-15-9-4-3-8-14(15)24-19/h3-6,8-11H,7,12-13,23H2,1-2H3
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n/an/a>6.66E+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, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM52304
PNG
(1-(3-Methoxy-propyl)-3-(1-methyl-1H-benzoimidazol-...)
Show SMILES COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12 |(9.35,-7.82,;8.88,-6.36,;9.91,-5.21,;9.43,-3.75,;10.46,-2.6,;9.98,-1.14,;10.88,.1,;12.42,.1,;9.98,1.34,;10.46,2.81,;11.91,3.28,;11.92,4.81,;13.07,5.83,;12.75,7.34,;11.28,7.82,;10.14,6.79,;10.46,5.28,;9.56,4.05,;8.02,4.05,;8.52,.87,;7.19,1.64,;5.85,.87,;4.48,1.7,;3.08,.91,;3.08,-.7,;4.48,-1.49,;5.85,-.67,;7.19,-1.44,;8.52,-.67,)|
Show InChI InChI=1S/C22H22N6O/c1-27-17-11-6-5-10-16(17)26-21(27)18-19-22(28(20(18)23)12-7-13-29-2)25-15-9-4-3-8-14(15)24-19/h3-6,8-11H,7,12-13,23H2,1-2H3
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n/an/a 7.37E+3n/an/an/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/Q2G15ZB8
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM52304
PNG
(1-(3-Methoxy-propyl)-3-(1-methyl-1H-benzoimidazol-...)
Show SMILES COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12 |(9.35,-7.82,;8.88,-6.36,;9.91,-5.21,;9.43,-3.75,;10.46,-2.6,;9.98,-1.14,;10.88,.1,;12.42,.1,;9.98,1.34,;10.46,2.81,;11.91,3.28,;11.92,4.81,;13.07,5.83,;12.75,7.34,;11.28,7.82,;10.14,6.79,;10.46,5.28,;9.56,4.05,;8.02,4.05,;8.52,.87,;7.19,1.64,;5.85,.87,;4.48,1.7,;3.08,.91,;3.08,-.7,;4.48,-1.49,;5.85,-.67,;7.19,-1.44,;8.52,-.67,)|
Show InChI InChI=1S/C22H22N6O/c1-27-17-11-6-5-10-16(17)26-21(27)18-19-22(28(20(18)23)12-7-13-29-2)25-15-9-4-3-8-14(15)24-19/h3-6,8-11H,7,12-13,23H2,1-2H3
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n/an/a 1.93E+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)


BindingDB Entry DOI: 10.7270/Q2B856NC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM52304
PNG
(1-(3-Methoxy-propyl)-3-(1-methyl-1H-benzoimidazol-...)
Show SMILES COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12 |(9.35,-7.82,;8.88,-6.36,;9.91,-5.21,;9.43,-3.75,;10.46,-2.6,;9.98,-1.14,;10.88,.1,;12.42,.1,;9.98,1.34,;10.46,2.81,;11.91,3.28,;11.92,4.81,;13.07,5.83,;12.75,7.34,;11.28,7.82,;10.14,6.79,;10.46,5.28,;9.56,4.05,;8.02,4.05,;8.52,.87,;7.19,1.64,;5.85,.87,;4.48,1.7,;3.08,.91,;3.08,-.7,;4.48,-1.49,;5.85,-.67,;7.19,-1.44,;8.52,-.67,)|
Show InChI InChI=1S/C22H22N6O/c1-27-17-11-6-5-10-16(17)26-21(27)18-19-22(28(20(18)23)12-7-13-29-2)25-15-9-4-3-8-14(15)24-19/h3-6,8-11H,7,12-13,23H2,1-2H3
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n/an/an/an/a>9.25E+4n/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/Q22V2DN3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6


(Homo sapiens (Human))
BDBM52304
PNG
(1-(3-Methoxy-propyl)-3-(1-methyl-1H-benzoimidazol-...)
Show SMILES COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12 |(9.35,-7.82,;8.88,-6.36,;9.91,-5.21,;9.43,-3.75,;10.46,-2.6,;9.98,-1.14,;10.88,.1,;12.42,.1,;9.98,1.34,;10.46,2.81,;11.91,3.28,;11.92,4.81,;13.07,5.83,;12.75,7.34,;11.28,7.82,;10.14,6.79,;10.46,5.28,;9.56,4.05,;8.02,4.05,;8.52,.87,;7.19,1.64,;5.85,.87,;4.48,1.7,;3.08,.91,;3.08,-.7,;4.48,-1.49,;5.85,-.67,;7.19,-1.44,;8.52,-.67,)|
Show InChI InChI=1S/C22H22N6O/c1-27-17-11-6-5-10-16(17)26-21(27)18-19-22(28(20(18)23)12-7-13-29-2)25-15-9-4-3-8-14(15)24-19/h3-6,8-11H,7,12-13,23H2,1-2H3
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n/an/a 1.53E+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)


BindingDB Entry DOI: 10.7270/Q2QJ7FTF
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM52304
PNG
(1-(3-Methoxy-propyl)-3-(1-methyl-1H-benzoimidazol-...)
Show SMILES COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12 |(9.35,-7.82,;8.88,-6.36,;9.91,-5.21,;9.43,-3.75,;10.46,-2.6,;9.98,-1.14,;10.88,.1,;12.42,.1,;9.98,1.34,;10.46,2.81,;11.91,3.28,;11.92,4.81,;13.07,5.83,;12.75,7.34,;11.28,7.82,;10.14,6.79,;10.46,5.28,;9.56,4.05,;8.02,4.05,;8.52,.87,;7.19,1.64,;5.85,.87,;4.48,1.7,;3.08,.91,;3.08,-.7,;4.48,-1.49,;5.85,-.67,;7.19,-1.44,;8.52,-.67,)|
Show InChI InChI=1S/C22H22N6O/c1-27-17-11-6-5-10-16(17)26-21(27)18-19-22(28(20(18)23)12-7-13-29-2)25-15-9-4-3-8-14(15)24-19/h3-6,8-11H,7,12-13,23H2,1-2H3
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n/an/a 1.09E+4n/an/an/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/Q2KS6Q2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6


(Homo sapiens (Human))
BDBM52304
PNG
(1-(3-Methoxy-propyl)-3-(1-methyl-1H-benzoimidazol-...)
Show SMILES COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12 |(9.35,-7.82,;8.88,-6.36,;9.91,-5.21,;9.43,-3.75,;10.46,-2.6,;9.98,-1.14,;10.88,.1,;12.42,.1,;9.98,1.34,;10.46,2.81,;11.91,3.28,;11.92,4.81,;13.07,5.83,;12.75,7.34,;11.28,7.82,;10.14,6.79,;10.46,5.28,;9.56,4.05,;8.02,4.05,;8.52,.87,;7.19,1.64,;5.85,.87,;4.48,1.7,;3.08,.91,;3.08,-.7,;4.48,-1.49,;5.85,-.67,;7.19,-1.44,;8.52,-.67,)|
Show InChI InChI=1S/C22H22N6O/c1-27-17-11-6-5-10-16(17)26-21(27)18-19-22(28(20(18)23)12-7-13-29-2)25-15-9-4-3-8-14(15)24-19/h3-6,8-11H,7,12-13,23H2,1-2H3
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n/an/a 2.74E+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)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair