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BDBM51126 2-(3,4,5-trimethoxybenzylidene)indane-1,3-quinone::2-[(3,4,5-trimethoxyphenyl)methylidene]indene-1,3-dione::MLS000718012::SMR000279580::cid_827945

SMILES: [#6]-[#8]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)cc(-[#8]-[#6])c1-[#8]-[#6]

InChI Key: InChIKey=LUMDPXXCOXMGKB-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 51126   
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)
BDBM51126
PNG
(2-(3,4,5-trimethoxybenzylidene)indane-1,3-quinone ...)
Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)cc(-[#8]-[#6])c1-[#8]-[#6]
Show InChI InChI=1S/C19H16O5/c1-22-15-9-11(10-16(23-2)19(15)24-3)8-14-17(20)12-6-4-5-7-13(12)18(14)21/h4-10H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.97E+4n/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
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM51126
PNG
(2-(3,4,5-trimethoxybenzylidene)indane-1,3-quinone ...)
Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)cc(-[#8]-[#6])c1-[#8]-[#6]
Show InChI InChI=1S/C19H16O5/c1-22-15-9-11(10-16(23-2)19(15)24-3)8-14-17(20)12-6-4-5-7-13(12)18(14)21/h4-10H,1-3H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.46E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2NC5ZS3
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM51126
PNG
(2-(3,4,5-trimethoxybenzylidene)indane-1,3-quinone ...)
Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)cc(-[#8]-[#6])c1-[#8]-[#6]
Show InChI InChI=1S/C19H16O5/c1-22-15-9-11(10-16(23-2)19(15)24-3)8-14-17(20)12-6-4-5-7-13(12)18(14)21/h4-10H,1-3H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.30E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair