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BDBM41095 5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid methyl ester::5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]methyl]-2-furancarboxylic acid methyl ester::MLS000581749::SMR000200681::cid_5740525::methyl 5-({4-[2-(1H-benzimidazol-2-yl)-2-cyanovinyl]-2-methoxyphenoxy}methyl)-2-furoate::methyl 5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylate::methyl 5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate

SMILES: COC(=O)c1ccc(COc2ccc(\C=C(/C#N)c3nc4ccccc4[nH]3)cc2OC)o1

InChI Key: InChIKey=XUGLAAOALNPRSY-LFIBNONCSA-N

Data: 4 IC50  2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 41095   
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
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM41095
PNG
(5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]...)
Show SMILES COC(=O)c1ccc(COc2ccc(\C=C(/C#N)c3nc4ccccc4[nH]3)cc2OC)o1
Show InChI InChI=1S/C24H19N3O5/c1-29-22-12-15(11-16(13-25)23-26-18-5-3-4-6-19(18)27-23)7-9-20(22)31-14-17-8-10-21(32-17)24(28)30-2/h3-12H,14H2,1-2H3,(H,26,27)/b16-11+
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MMDB

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n/an/a 1.43E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41095
PNG
(5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]...)
Show SMILES COC(=O)c1ccc(COc2ccc(\C=C(/C#N)c3nc4ccccc4[nH]3)cc2OC)o1
Show InChI InChI=1S/C24H19N3O5/c1-29-22-12-15(11-16(13-25)23-26-18-5-3-4-6-19(18)27-23)7-9-20(22)31-14-17-8-10-21(32-17)24(28)30-2/h3-12H,14H2,1-2H3,(H,26,27)/b16-11+
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n/an/a>6.95E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM41095
PNG
(5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]...)
Show SMILES COC(=O)c1ccc(COc2ccc(\C=C(/C#N)c3nc4ccccc4[nH]3)cc2OC)o1
Show InChI InChI=1S/C24H19N3O5/c1-29-22-12-15(11-16(13-25)23-26-18-5-3-4-6-19(18)27-23)7-9-20(22)31-14-17-8-10-21(32-17)24(28)30-2/h3-12H,14H2,1-2H3,(H,26,27)/b16-11+
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n/an/a 4.93E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM41095
PNG
(5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]...)
Show SMILES COC(=O)c1ccc(COc2ccc(\C=C(/C#N)c3nc4ccccc4[nH]3)cc2OC)o1
Show InChI InChI=1S/C24H19N3O5/c1-29-22-12-15(11-16(13-25)23-26-18-5-3-4-6-19(18)27-23)7-9-20(22)31-14-17-8-10-21(32-17)24(28)30-2/h3-12H,14H2,1-2H3,(H,26,27)/b16-11+
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n/an/an/an/a 3.00E+5n/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
Thrombin


(Bos taurus (Bovine))
BDBM41095
PNG
(5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]...)
Show SMILES COC(=O)c1ccc(COc2ccc(\C=C(/C#N)c3nc4ccccc4[nH]3)cc2OC)o1
Show InChI InChI=1S/C24H19N3O5/c1-29-22-12-15(11-16(13-25)23-26-18-5-3-4-6-19(18)27-23)7-9-20(22)31-14-17-8-10-21(32-17)24(28)30-2/h3-12H,14H2,1-2H3,(H,26,27)/b16-11+
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n/an/a 1.14E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM41095
PNG
(5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]...)
Show SMILES COC(=O)c1ccc(COc2ccc(\C=C(/C#N)c3nc4ccccc4[nH]3)cc2OC)o1
Show InChI InChI=1S/C24H19N3O5/c1-29-22-12-15(11-16(13-25)23-26-18-5-3-4-6-19(18)27-23)7-9-20(22)31-14-17-8-10-21(32-17)24(28)30-2/h3-12H,14H2,1-2H3,(H,26,27)/b16-11+
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n/an/an/an/a 3.00E+5n/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