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4 similar compounds to monomer 51089

Compile data set for download or QSAR
Wt: 429.4
BDBM51085
Wt: 474.4
BDBM51090
Wt: 500.6
BDBM55631
Wt: 474.4
BDBM83701

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 51085,51090,55631,83701   
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
BZLF2


(Human herpesvirus 4 type 2)
BDBM51085
PNG
((E)-2-cyano-N-(2-fluorophenyl)-3-[(3Z)-2-(4-morpho...)
Show SMILES Fc1ccccc1NC(=O)C(=C\C1=C(N2CCOCC2)\C(\CC1)=C/c1ccccc1)\C#N
Show InChI InChI=1S/C26H24FN3O2/c27-23-8-4-5-9-24(23)29-26(31)22(18-28)17-21-11-10-20(16-19-6-2-1-3-7-19)25(21)30-12-14-32-15-13-30/h1-9,16-17H,10-15H2,(H,29,31)/b20-16-,22-17+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.28E+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
BZLF2


(Human herpesvirus 4 type 2)
BDBM51090
PNG
((E)-2-cyano-N-(2-fluorophenyl)-3-[(3E)-2-(4-morpho...)
Show SMILES [O-][N+](=O)c1cccc(\C=C2/CCC(\C=C(/C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)c1
Show InChI InChI=1S/C26H23FN4O4/c27-23-6-1-2-7-24(23)29-26(32)21(17-28)16-20-9-8-19(25(20)30-10-12-35-13-11-30)14-18-4-3-5-22(15-18)31(33)34/h1-7,14-16H,8-13H2,(H,29,32)/b19-14+,21-16+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.53E+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
neutrophil cytosolic factor 1


(Homo sapiens (Human))
BDBM55631
PNG
((E)-2-cyano-3-[(3E)-3-[4-(diethylamino)benzylidene...)
Show SMILES CCN(CC)c1ccc(\C=C2/CCC(\C=C(/C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)cc1
Show InChI InChI=1S/C30H33FN4O2/c1-3-34(4-2)26-13-9-22(10-14-26)19-23-11-12-24(29(23)35-15-17-37-18-16-35)20-25(21-32)30(36)33-28-8-6-5-7-27(28)31/h5-10,13-14,19-20H,3-4,11-12,15-18H2,1-2H3,(H,33,36)/b23-19+,25-20+
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 390n/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: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM83701
PNG
((Z)-2-cyano-N-(2-fluorophenyl)-3-[(3E)-2-(4-morpho...)
Show SMILES [O-][N+](=O)c1cccc(\C=C2/CCC(\C=C(\C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)c1
Show InChI InChI=1S/C26H23FN4O4/c27-23-6-1-2-7-24(23)29-26(32)21(17-28)16-20-9-8-19(25(20)30-10-12-35-13-11-30)14-18-4-3-5-22(15-18)31(33)34/h1-7,14-16H,8-13H2,(H,29,32)/b19-14+,21-16-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

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)


BindingDB Entry DOI: 10.7270/Q2Z31X54
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM51090
PNG
((E)-2-cyano-N-(2-fluorophenyl)-3-[(3E)-2-(4-morpho...)
Show SMILES [O-][N+](=O)c1cccc(\C=C2/CCC(\C=C(/C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)c1
Show InChI InChI=1S/C26H23FN4O4/c27-23-6-1-2-7-24(23)29-26(32)21(17-28)16-20-9-8-19(25(20)30-10-12-35-13-11-30)14-18-4-3-5-22(15-18)31(33)34/h1-7,14-16H,8-13H2,(H,29,32)/b19-14+,21-16+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

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)


BindingDB Entry DOI: 10.7270/Q2Z31X54
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM83701
PNG
((Z)-2-cyano-N-(2-fluorophenyl)-3-[(3E)-2-(4-morpho...)
Show SMILES [O-][N+](=O)c1cccc(\C=C2/CCC(\C=C(\C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)c1
Show InChI InChI=1S/C26H23FN4O4/c27-23-6-1-2-7-24(23)29-26(32)21(17-28)16-20-9-8-19(25(20)30-10-12-35-13-11-30)14-18-4-3-5-22(15-18)31(33)34/h1-7,14-16H,8-13H2,(H,29,32)/b19-14+,21-16-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

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)


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)
BDBM51090
PNG
((E)-2-cyano-N-(2-fluorophenyl)-3-[(3E)-2-(4-morpho...)
Show SMILES [O-][N+](=O)c1cccc(\C=C2/CCC(\C=C(/C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)c1
Show InChI InChI=1S/C26H23FN4O4/c27-23-6-1-2-7-24(23)29-26(32)21(17-28)16-20-9-8-19(25(20)30-10-12-35-13-11-30)14-18-4-3-5-22(15-18)31(33)34/h1-7,14-16H,8-13H2,(H,29,32)/b19-14+,21-16+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

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)


BindingDB Entry DOI: 10.7270/Q2TB15DB
More data for this
Ligand-Target Pair