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SMILES: CC(C)(C)C1C\C(=C\c2ccco2)C(=O)\C(C1)=C\c1ccco1

InChI Key: InChIKey=IALQBQOSFNCQSO-PMJBJKLVSA-N

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 4 hits for monomerid = 68010   
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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68010
PNG
((2Z,6E)-4-tert-butyl-2,6-bis(2-furanylmethylidene)...)
Show SMILES CC(C)(C)C1C\C(=C\c2ccco2)C(=O)\C(C1)=C\c1ccco1
Show InChI InChI=1S/C20H22O3/c1-20(2,3)16-10-14(12-17-6-4-8-22-17)19(21)15(11-16)13-18-7-5-9-23-18/h4-9,12-13,16H,10-11H2,1-3H3/b14-12-,15-13+
KEGG

UniProtKB/SwissProt

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n/an/a<160n/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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))
BDBM68010
PNG
((2Z,6E)-4-tert-butyl-2,6-bis(2-furanylmethylidene)...)
Show SMILES CC(C)(C)C1C\C(=C\c2ccco2)C(=O)\C(C1)=C\c1ccco1
Show InChI InChI=1S/C20H22O3/c1-20(2,3)16-10-14(12-17-6-4-8-22-17)19(21)15(11-16)13-18-7-5-9-23-18/h4-9,12-13,16H,10-11H2,1-3H3/b14-12-,15-13+
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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n/an/a 9.97E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2N58K09
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68010
PNG
((2Z,6E)-4-tert-butyl-2,6-bis(2-furanylmethylidene)...)
Show SMILES CC(C)(C)C1C\C(=C\c2ccco2)C(=O)\C(C1)=C\c1ccco1
Show InChI InChI=1S/C20H22O3/c1-20(2,3)16-10-14(12-17-6-4-8-22-17)19(21)15(11-16)13-18-7-5-9-23-18/h4-9,12-13,16H,10-11H2,1-3H3/b14-12-,15-13+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a<160n/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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
X-box-binding protein 1


(Homo sapiens (Human))
BDBM68010
PNG
((2Z,6E)-4-tert-butyl-2,6-bis(2-furanylmethylidene)...)
Show SMILES CC(C)(C)C1C\C(=C\c2ccco2)C(=O)\C(C1)=C\c1ccco1
Show InChI InChI=1S/C20H22O3/c1-20(2,3)16-10-14(12-17-6-4-8-22-17)19(21)15(11-16)13-18-7-5-9-23-18/h4-9,12-13,16H,10-11H2,1-3H3/b14-12-,15-13+
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.00E+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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair