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4 similar compounds to monomer 50073057

Compile data set for download or QSAR
Wt: 297.3
BDBM64157
Purchase
Wt: 283.3
BDBM87346
Purchase
Wt: 342.4
BDBM50073065
Wt: 413.5
BDBM50073066

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 64157,87346,50073065,50073066   
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50073066
PNG
(CHEMBL3410811)
Show SMILES CCCCCOc1ccc(cc1OCCCCC)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C25H35NO4/c1-3-5-7-17-29-23-14-11-21(19-24(23)30-18-8-6-4-2)25(28)26-16-15-20-9-12-22(27)13-10-20/h9-14,19,27H,3-8,15-18H2,1-2H3,(H,26,28)
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0.440n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50073066
PNG
(CHEMBL3410811)
Show SMILES CCCCCOc1ccc(cc1OCCCCC)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C25H35NO4/c1-3-5-7-17-29-23-14-11-21(19-24(23)30-18-8-6-4-2)25(28)26-16-15-20-9-12-22(27)13-10-20/h9-14,19,27H,3-8,15-18H2,1-2H3,(H,26,28)
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0.440n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50073065
PNG
(CHEMBL3410810)
Show SMILES CCCCCOc1cc(ccc1OC)C(=O)NCCc1ccncc1
Show InChI InChI=1S/C20H26N2O3/c1-3-4-5-14-25-19-15-17(6-7-18(19)24-2)20(23)22-13-10-16-8-11-21-12-9-16/h6-9,11-12,15H,3-5,10,13-14H2,1-2H3,(H,22,23)
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73n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50073065
PNG
(CHEMBL3410810)
Show SMILES CCCCCOc1cc(ccc1OC)C(=O)NCCc1ccncc1
Show InChI InChI=1S/C20H26N2O3/c1-3-4-5-14-25-19-15-17(6-7-18(19)24-2)20(23)22-13-10-16-8-11-21-12-9-16/h6-9,11-12,15H,3-5,10,13-14H2,1-2H3,(H,22,23)
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73n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87346
PNG
(MLS001129740 | N-(2-phenylethyl)-2,3-dihydro-1,4-b...)
Show SMILES O=C(NCCc1ccccc1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H17NO3/c19-17(18-9-8-13-4-2-1-3-5-13)14-6-7-15-16(12-14)21-11-10-20-15/h1-7,12H,8-11H2,(H,18,19)
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PCBioAssay
n/an/a 5.83E+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)


Article DOI: 10.1016/j.bioorg.2016.07.005
BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM87346
PNG
(MLS001129740 | N-(2-phenylethyl)-2,3-dihydro-1,4-b...)
Show SMILES O=C(NCCc1ccccc1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H17NO3/c19-17(18-9-8-13-4-2-1-3-5-13)14-6-7-15-16(12-14)21-11-10-20-15/h1-7,12H,8-11H2,(H,18,19)
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PCBioAssay
n/an/a 9.59E+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)


Article DOI: 10.1016/j.bioorg.2016.07.002
BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM64157
PNG
(MLS001175788 | N-(2-phenylethyl)-3,4-dihydro-2H-1,...)
Show SMILES O=C(NCCc1ccccc1)c1ccc2OCCCOc2c1
Show InChI InChI=1S/C18H19NO3/c20-18(19-10-9-14-5-2-1-3-6-14)15-7-8-16-17(13-15)22-12-4-11-21-16/h1-3,5-8,13H,4,9-12H2,(H,19,20)
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n/an/an/an/a<160n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM87346
PNG
(MLS001129740 | N-(2-phenylethyl)-2,3-dihydro-1,4-b...)
Show SMILES O=C(NCCc1ccccc1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H17NO3/c19-17(18-9-8-13-4-2-1-3-5-13)14-6-7-15-16(12-14)21-11-10-20-15/h1-7,12H,8-11H2,(H,18,19)
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PCBioAssay
n/an/a 1.02E+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)


Article DOI: 10.1016/j.bioorg.2016.07.007
BindingDB Entry DOI: 10.7270/Q28914F2
More data for this
Ligand-Target Pair