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4 similar compounds to monomer 50223308

Compile data set for download or QSAR
Wt: 326.3
BDBM72282
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Wt: 344.3
BDBM50223278
Wt: 340.4
BDBM50223281
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Wt: 312.3
BDBM50223294
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 72282,50223278,50223281,50223294   
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
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50223281
PNG
(5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethy...)
Show SMILES CC(Nc1cc(ccc1[N+]([O-])=O)N1CCN(C)CC1)c1ccccc1
Show InChI InChI=1/C19H24N4O2/c1-15(16-6-4-3-5-7-16)20-18-14-17(8-9-19(18)23(24)25)22-12-10-21(2)11-13-22/h3-9,14-15,20H,10-13H2,1-2H3
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6224-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50223294
PNG
(CHEMBL401294 | N-benzyl-2-nitro-5-(piperazin-1-yl)...)
Show SMILES [O-][N+](=O)c1ccc(cc1NCc1ccccc1)N1CCNCC1
Show InChI InChI=1S/C17H20N4O2/c22-21(23)17-7-6-15(20-10-8-18-9-11-20)12-16(17)19-13-14-4-2-1-3-5-14/h1-7,12,18-19H,8-11,13H2
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CHEMBL
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Article
PubMed
28n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6224-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50223278
PNG
(CHEMBL399681 | N-(4-fluorobenzyl)-5-(4-methylpiper...)
Show SMILES CN1CCN(CC1)c1ccc(c(NCc2ccc(F)cc2)c1)[N+]([O-])=O
Show InChI InChI=1S/C18H21FN4O2/c1-21-8-10-22(11-9-21)16-6-7-18(23(24)25)17(12-16)20-13-14-2-4-15(19)5-3-14/h2-7,12,20H,8-11,13H2,1H3
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Patents


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Article
PubMed
172n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6224-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM72282
PNG
((2-nitro-5-piperazino-phenyl)-(1-phenylethyl)amine...)
Show SMILES CC(Nc1cc(ccc1[N+]([O-])=O)N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H22N4O2/c1-14(15-5-3-2-4-6-15)20-17-13-16(7-8-18(17)22(23)24)21-11-9-19-10-12-21/h2-8,13-14,19-20H,9-12H2,1H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a>2.60E+5n/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: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair