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BDBM50806 2-cyano-2-[3-(diethylamino)-2-quinoxalinyl]-N-(2-phenylethyl)acetamide::2-cyano-2-[3-(diethylamino)quinoxalin-2-yl]-N-(2-phenylethyl)acetamide::2-cyano-2-[3-(diethylamino)quinoxalin-2-yl]-N-(2-phenylethyl)ethanamide::2-cyano-2-[3-(diethylamino)quinoxalin-2-yl]-N-phenethyl-acetamide::MLS000083208::SMR000048138::cid_666840

SMILES: CCN(CC)c1nc2ccccc2nc1C(C#N)C(=O)NCCc1ccccc1

InChI Key: InChIKey=IZGXVBKISZCSSQ-UHFFFAOYSA-N

Data: 1 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 3 hits for monomerid = 50806   
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)
BDBM50806
PNG
(2-cyano-2-[3-(diethylamino)-2-quinoxalinyl]-N-(2-p...)
Show SMILES CCN(CC)c1nc2ccccc2nc1C(C#N)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C23H25N5O/c1-3-28(4-2)22-21(26-19-12-8-9-13-20(19)27-22)18(16-24)23(29)25-15-14-17-10-6-5-7-11-17/h5-13,18H,3-4,14-15H2,1-2H3,(H,25,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.31E+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
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM50806
PNG
(2-cyano-2-[3-(diethylamino)-2-quinoxalinyl]-N-(2-p...)
Show SMILES CCN(CC)c1nc2ccccc2nc1C(C#N)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C23H25N5O/c1-3-28(4-2)22-21(26-19-12-8-9-13-20(19)27-22)18(16-24)23(29)25-15-14-17-10-6-5-7-11-17/h5-13,18H,3-4,14-15H2,1-2H3,(H,25,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

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)
BDBM50806
PNG
(2-cyano-2-[3-(diethylamino)-2-quinoxalinyl]-N-(2-p...)
Show SMILES CCN(CC)c1nc2ccccc2nc1C(C#N)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C23H25N5O/c1-3-28(4-2)22-21(26-19-12-8-9-13-20(19)27-22)18(16-24)23(29)25-15-14-17-10-6-5-7-11-17/h5-13,18H,3-4,14-15H2,1-2H3,(H,25,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

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