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BDBM52755 MLS001004059::N-[2-(2-cyano-4-nitro-anilino)ethyl]acetamide::N-[2-(2-cyano-4-nitroanilino)ethyl]acetamide::N-[2-[(2-cyano-4-nitro-phenyl)amino]ethyl]ethanamide::SMR000377772::cid_4841766

SMILES: CC(=O)NCCNc1ccc(cc1C#N)[N+]([O-])=O

InChI Key: InChIKey=SVGLHBXJLVCYTC-UHFFFAOYSA-N

Data: 3 IC50  2 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 = 52755   
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 family member (pos-1)


(Caenorhabditis elegans)
BDBM52755
PNG
(MLS001004059 | N-[2-(2-cyano-4-nitro-anilino)ethyl...)
Show SMILES CC(=O)NCCNc1ccc(cc1C#N)[N+]([O-])=O
Show InChI InChI=1S/C11H12N4O3/c1-8(16)13-4-5-14-11-3-2-10(15(17)18)6-9(11)7-12/h2-3,6,14H,4-5H2,1H3,(H,13,16)
KEGG

GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
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
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM52755
PNG
(MLS001004059 | N-[2-(2-cyano-4-nitro-anilino)ethyl...)
Show SMILES CC(=O)NCCNc1ccc(cc1C#N)[N+]([O-])=O
Show InChI InChI=1S/C11H12N4O3/c1-8(16)13-4-5-14-11-3-2-10(15(17)18)6-9(11)7-12/h2-3,6,14H,4-5H2,1H3,(H,13,16)
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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
Aurora kinase B


(Homo sapiens (Human))
BDBM52755
PNG
(MLS001004059 | N-[2-(2-cyano-4-nitro-anilino)ethyl...)
Show SMILES CC(=O)NCCNc1ccc(cc1C#N)[N+]([O-])=O
Show InChI InChI=1S/C11H12N4O3/c1-8(16)13-4-5-14-11-3-2-10(15(17)18)6-9(11)7-12/h2-3,6,14H,4-5H2,1H3,(H,13,16)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 141n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B kinase (unknown origin) expressed in Escherichia coli


Eur J Med Chem 65: 151-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.058
BindingDB Entry DOI: 10.7270/Q2C82BQ3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM52755
PNG
(MLS001004059 | N-[2-(2-cyano-4-nitro-anilino)ethyl...)
Show SMILES CC(=O)NCCNc1ccc(cc1C#N)[N+]([O-])=O
Show InChI InChI=1S/C11H12N4O3/c1-8(16)13-4-5-14-11-3-2-10(15(17)18)6-9(11)7-12/h2-3,6,14H,4-5H2,1H3,(H,13,16)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A kinase (unknown origin) by Z'-LYTE kinase assay


Eur J Med Chem 65: 151-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.058
BindingDB Entry DOI: 10.7270/Q2C82BQ3
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM52755
PNG
(MLS001004059 | N-[2-(2-cyano-4-nitro-anilino)ethyl...)
Show SMILES CC(=O)NCCNc1ccc(cc1C#N)[N+]([O-])=O
Show InChI InChI=1S/C11H12N4O3/c1-8(16)13-4-5-14-11-3-2-10(15(17)18)6-9(11)7-12/h2-3,6,14H,4-5H2,1H3,(H,13,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase (unknown origin) by Z'-LYTE kinase assay


Eur J Med Chem 65: 151-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.058
BindingDB Entry DOI: 10.7270/Q2C82BQ3
More data for this
Ligand-Target Pair