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SMILES: COc1cc(CNC(C)=C2C(=O)NC(=O)N(CC=C)C2=O)cc(OC)c1

InChI Key: InChIKey=AHTJFPVCZKLMIE-UHFFFAOYSA-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 5 hits for monomerid = 87255   
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
Tegument protein VP16


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87255
PNG
((5E)-1-allyl-5-[1-[(3,5-dimethoxybenzyl)amino]ethy...)
Show SMILES COc1cc(CNC(C)=C2C(=O)NC(=O)N(CC=C)C2=O)cc(OC)c1 |w:7.7|
Show InChI InChI=1S/C18H21N3O5/c1-5-6-21-17(23)15(16(22)20-18(21)24)11(2)19-10-12-7-13(25-3)9-14(8-12)26-4/h5,7-9,19H,1,6,10H2,2-4H3,(H,20,22,24)
MMDB

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.87E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM87255
PNG
((5E)-1-allyl-5-[1-[(3,5-dimethoxybenzyl)amino]ethy...)
Show SMILES COc1cc(CNC(C)=C2C(=O)NC(=O)N(CC=C)C2=O)cc(OC)c1 |w:7.7|
Show InChI InChI=1S/C18H21N3O5/c1-5-6-21-17(23)15(16(22)20-18(21)24)11(2)19-10-12-7-13(25-3)9-14(8-12)26-4/h5,7-9,19H,1,6,10H2,2-4H3,(H,20,22,24)
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PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q28914F2
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 3


(Homo sapiens (Human))
BDBM87255
PNG
((5E)-1-allyl-5-[1-[(3,5-dimethoxybenzyl)amino]ethy...)
Show SMILES COc1cc(CNC(C)=C2C(=O)NC(=O)N(CC=C)C2=O)cc(OC)c1 |w:7.7|
Show InChI InChI=1S/C18H21N3O5/c1-5-6-21-17(23)15(16(22)20-18(21)24)11(2)19-10-12-7-13(25-3)9-14(8-12)26-4/h5,7-9,19H,1,6,10H2,2-4H3,(H,20,22,24)
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PCBioAssay
n/an/a 7.73E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM87255
PNG
((5E)-1-allyl-5-[1-[(3,5-dimethoxybenzyl)amino]ethy...)
Show SMILES COc1cc(CNC(C)=C2C(=O)NC(=O)N(CC=C)C2=O)cc(OC)c1 |w:7.7|
Show InChI InChI=1S/C18H21N3O5/c1-5-6-21-17(23)15(16(22)20-18(21)24)11(2)19-10-12-7-13(25-3)9-14(8-12)26-4/h5,7-9,19H,1,6,10H2,2-4H3,(H,20,22,24)
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n/an/a 1.25E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 3


(Homo sapiens (Human))
BDBM87255
PNG
((5E)-1-allyl-5-[1-[(3,5-dimethoxybenzyl)amino]ethy...)
Show SMILES COc1cc(CNC(C)=C2C(=O)NC(=O)N(CC=C)C2=O)cc(OC)c1 |w:7.7|
Show InChI InChI=1S/C18H21N3O5/c1-5-6-21-17(23)15(16(22)20-18(21)24)11(2)19-10-12-7-13(25-3)9-14(8-12)26-4/h5,7-9,19H,1,6,10H2,2-4H3,(H,20,22,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.02E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2C24V0K
More data for this
Ligand-Target Pair