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BDBM47584 (E)-2-(4-bromobenzoyl)-3-[4-(diethylamino)phenyl]acrylonitrile::(E)-2-(4-bromobenzoyl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile::(E)-2-(4-bromophenyl)carbonyl-3-[4-(diethylamino)phenyl]prop-2-enenitrile::(E)-2-[(4-bromophenyl)-oxomethyl]-3-[4-(diethylamino)phenyl]-2-propenenitrile::MLS000576501::SMR000185885::cid_5333607

SMILES: CCN(CC)c1ccc(\C=C(/C#N)C(=O)c2ccc(Br)cc2)cc1

InChI Key: InChIKey=PYMMTFMRJFLXGP-GHRIWEEISA-N

Data: 1 IC50  1 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 2 hits for monomerid = 47584   
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)
BDBM47584
PNG
((E)-2-(4-bromobenzoyl)-3-[4-(diethylamino)phenyl]a...)
Show SMILES CCN(CC)c1ccc(\C=C(/C#N)C(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C20H19BrN2O/c1-3-23(4-2)19-11-5-15(6-12-19)13-17(14-22)20(24)16-7-9-18(21)10-8-16/h5-13H,3-4H2,1-2H3/b17-13+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.87E+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
glutathione S-transferase


(Homo sapiens (Human))
BDBM47584
PNG
((E)-2-(4-bromobenzoyl)-3-[4-(diethylamino)phenyl]a...)
Show SMILES CCN(CC)c1ccc(\C=C(/C#N)C(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C20H19BrN2O/c1-3-23(4-2)19-11-5-15(6-12-19)13-17(14-22)20(24)16-7-9-18(21)10-8-16/h5-13H,3-4H2,1-2H3/b17-13+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.11E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair