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BDBM61114 2,6-di-tert-butyl-4-(3,4-dimethoxybenzylidene)-2,5-cyclohexadien-1-one::2,6-ditert-butyl-4-[(3,4-dimethoxyphenyl)methylidene]-1-cyclohexa-2,5-dienone::2,6-ditert-butyl-4-[(3,4-dimethoxyphenyl)methylidene]cyclohexa-2,5-dien-1-one::2,6-ditert-butyl-4-veratrylidene-cyclohexa-2,5-dien-1-one::MLS001163486::SMR000496761::cid_2868490

SMILES: [#6]-[#8]-c1ccc(\[#6]=[#6]-2\[#6]=[#6](-[#6](=O)-[#6](=[#6]-2)C([#6])([#6])[#6])C([#6])([#6])[#6])cc1-[#8]-[#6]

InChI Key: InChIKey=HMZXLCKUQUILES-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 = 61114   
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
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61114
PNG
(2,6-di-tert-butyl-4-(3,4-dimethoxybenzylidene)-2,5...)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2\[#6]=[#6](-[#6](=O)-[#6](=[#6]-2)C([#6])([#6])[#6])C([#6])([#6])[#6])cc1-[#8]-[#6] |c:8,12|
Show InChI InChI=1S/C23H30O3/c1-22(2,3)17-12-16(13-18(21(17)24)23(4,5)6)11-15-9-10-19(25-7)20(14-15)26-8/h9-14H,1-8H3
KEGG

UniProtKB/SwissProt

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PC sid
UniChem
PCBioAssay
n/an/a 3.16E+3n/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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM61114
PNG
(2,6-di-tert-butyl-4-(3,4-dimethoxybenzylidene)-2,5...)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2\[#6]=[#6](-[#6](=O)-[#6](=[#6]-2)C([#6])([#6])[#6])C([#6])([#6])[#6])cc1-[#8]-[#6] |c:8,12|
Show InChI InChI=1S/C23H30O3/c1-22(2,3)17-12-16(13-18(21(17)24)23(4,5)6)11-15-9-10-19(25-7)20(14-15)26-8/h9-14H,1-8H3
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UniChem
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n/an/an/an/a 5.77E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61114
PNG
(2,6-di-tert-butyl-4-(3,4-dimethoxybenzylidene)-2,5...)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2\[#6]=[#6](-[#6](=O)-[#6](=[#6]-2)C([#6])([#6])[#6])C([#6])([#6])[#6])cc1-[#8]-[#6] |c:8,12|
Show InChI InChI=1S/C23H30O3/c1-22(2,3)17-12-16(13-18(21(17)24)23(4,5)6)11-15-9-10-19(25-7)20(14-15)26-8/h9-14H,1-8H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 3.20E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair