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BDBM42925 (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(2-naphthalenyloxy)-3-oxobutanenitrile::(2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-naphthalen-2-yloxy-3-oxidanylidene-butanenitrile::(2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-naphthalen-2-yloxy-3-oxobutanenitrile::(2E)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(2-naphthoxy)butyronitrile::MLS000055275::SMR000061763::cid_5742548

SMILES: Cn1c(nc2ccccc12)C(C#N)C(=O)COc1ccc2ccccc2c1

InChI Key: InChIKey=BNYUSRDDRBVYDE-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 42925   
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
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM42925
PNG
((2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(2-n...)
Show SMILES Cn1c(nc2ccccc12)C(C#N)C(=O)COc1ccc2ccccc2c1
Show InChI InChI=1S/C22H17N3O2/c1-25-20-9-5-4-8-19(20)24-22(25)18(13-23)21(26)14-27-17-11-10-15-6-2-3-7-16(15)12-17/h2-12,18H,14H2,1H3
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antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>7.94E+4n/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 http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2707ZV7
More data for this
Ligand-Target Pair
NCOA2 protein


(Homo sapiens (Human))
BDBM42925
PNG
((2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(2-n...)
Show SMILES Cn1c(nc2ccccc12)C(C#N)C(=O)COc1ccc2ccccc2c1
Show InChI InChI=1S/C22H17N3O2/c1-25-20-9-5-4-8-19(20)24-22(25)18(13-23)21(26)14-27-17-11-10-15-6-2-3-7-16(15)12-17/h2-12,18H,14H2,1H3
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n/an/an/an/a>7.94E+4n/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) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM42925
PNG
((2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(2-n...)
Show SMILES Cn1c(nc2ccccc12)C(C#N)C(=O)COc1ccc2ccccc2c1
Show InChI InChI=1S/C22H17N3O2/c1-25-20-9-5-4-8-19(20)24-22(25)18(13-23)21(26)14-27-17-11-10-15-6-2-3-7-16(15)12-17/h2-12,18H,14H2,1H3
PDB
MMDB

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B.MOAD
GoogleScholar
PC cid
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UniChem
Article
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n/an/an/an/a>9.90E+4n/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)


Article DOI: 10.1021/acs.biochem.5b00244
BindingDB Entry DOI: 10.7270/Q2TB15DB
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM42925
PNG
((2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(2-n...)
Show SMILES Cn1c(nc2ccccc12)C(C#N)C(=O)COc1ccc2ccccc2c1
Show InChI InChI=1S/C22H17N3O2/c1-25-20-9-5-4-8-19(20)24-22(25)18(13-23)21(26)14-27-17-11-10-15-6-2-3-7-16(15)12-17/h2-12,18H,14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/an/an/a>9.90E+4n/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)


Article DOI: 10.1021/acs.biochem.5b00221
BindingDB Entry DOI: 10.7270/Q2Z31X54
More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens (Human))
BDBM42925
PNG
((2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(2-n...)
Show SMILES Cn1c(nc2ccccc12)C(C#N)C(=O)COc1ccc2ccccc2c1
Show InChI InChI=1S/C22H17N3O2/c1-25-20-9-5-4-8-19(20)24-22(25)18(13-23)21(26)14-27-17-11-10-15-6-2-3-7-16(15)12-17/h2-12,18H,14H2,1H3
PDB
MMDB

Reactome pathway
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antibodypedia
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n/an/an/an/a>7.94E+4n/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) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair