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SMILES: Cc1ccc(NN=C2C(=O)N(CN3CCOCC3)c3ccccc23)cc1

InChI Key: InChIKey=XTDPXPKJEZLNQO-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 7 hits for monomerid = 50953   
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
Glycoprotein 42


(Human herpesvirus 4 type 2)
BDBM50953
PNG
((3Z)-1-(morpholinomethyl)-3-(p-tolylhydrazono)oxin...)
Show SMILES Cc1ccc(NN=C2C(=O)N(CN3CCOCC3)c3ccccc23)cc1 |w:6.5|
Show InChI InChI=1S/C20H22N4O2/c1-15-6-8-16(9-7-15)21-22-19-17-4-2-3-5-18(17)24(20(19)25)14-23-10-12-26-13-11-23/h2-9,21H,10-14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem
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n/an/a 2.39E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50953
PNG
((3Z)-1-(morpholinomethyl)-3-(p-tolylhydrazono)oxin...)
Show SMILES Cc1ccc(NN=C2C(=O)N(CN3CCOCC3)c3ccccc23)cc1 |w:6.5|
Show InChI InChI=1S/C20H22N4O2/c1-15-6-8-16(9-7-15)21-22-19-17-4-2-3-5-18(17)24(20(19)25)14-23-10-12-26-13-11-23/h2-9,21H,10-14H2,1H3
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antibodypedia
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n/an/a>7.94E+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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM50953
PNG
((3Z)-1-(morpholinomethyl)-3-(p-tolylhydrazono)oxin...)
Show SMILES Cc1ccc(NN=C2C(=O)N(CN3CCOCC3)c3ccccc23)cc1 |w:6.5|
Show InChI InChI=1S/C20H22N4O2/c1-15-6-8-16(9-7-15)21-22-19-17-4-2-3-5-18(17)24(20(19)25)14-23-10-12-26-13-11-23/h2-9,21H,10-14H2,1H3
PDB

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antibodypedia
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n/an/a>7.94E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2VQ314Z
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)
BDBM50953
PNG
((3Z)-1-(morpholinomethyl)-3-(p-tolylhydrazono)oxin...)
Show SMILES Cc1ccc(NN=C2C(=O)N(CN3CCOCC3)c3ccccc23)cc1 |w:6.5|
Show InChI InChI=1S/C20H22N4O2/c1-15-6-8-16(9-7-15)21-22-19-17-4-2-3-5-18(17)24(20(19)25)14-23-10-12-26-13-11-23/h2-9,21H,10-14H2,1H3
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KEGG

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n/an/an/an/a 5.05E+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)


BindingDB Entry DOI: 10.7270/Q2TB15DB
More data for this
Ligand-Target Pair
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM50953
PNG
((3Z)-1-(morpholinomethyl)-3-(p-tolylhydrazono)oxin...)
Show SMILES Cc1ccc(NN=C2C(=O)N(CN3CCOCC3)c3ccccc23)cc1 |w:6.5|
Show InChI InChI=1S/C20H22N4O2/c1-15-6-8-16(9-7-15)21-22-19-17-4-2-3-5-18(17)24(20(19)25)14-23-10-12-26-13-11-23/h2-9,21H,10-14H2,1H3
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KEGG

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n/an/an/an/a>7.15E+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/Q21N7ZKB
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)
BDBM50953
PNG
((3Z)-1-(morpholinomethyl)-3-(p-tolylhydrazono)oxin...)
Show SMILES Cc1ccc(NN=C2C(=O)N(CN3CCOCC3)c3ccccc23)cc1 |w:6.5|
Show InChI InChI=1S/C20H22N4O2/c1-15-6-8-16(9-7-15)21-22-19-17-4-2-3-5-18(17)24(20(19)25)14-23-10-12-26-13-11-23/h2-9,21H,10-14H2,1H3
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n/an/an/an/a 3.94E+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)


BindingDB Entry DOI: 10.7270/Q2Z31X54
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50953
PNG
((3Z)-1-(morpholinomethyl)-3-(p-tolylhydrazono)oxin...)
Show SMILES Cc1ccc(NN=C2C(=O)N(CN3CCOCC3)c3ccccc23)cc1 |w:6.5|
Show InChI InChI=1S/C20H22N4O2/c1-15-6-8-16(9-7-15)21-22-19-17-4-2-3-5-18(17)24(20(19)25)14-23-10-12-26-13-11-23/h2-9,21H,10-14H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a>7.94E+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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair