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SMILES: COC(=O)C1CCN(Cc2ccc(OCCCN3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc2)CC1

InChI Key: InChIKey=XYFRLVLKALKQQZ-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 4 hits for monomerid = 74521   
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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74521
PNG
(1-[4-[3-[4-(4-nitrophenyl)piperazino]propoxy]benzy...)
Show SMILES COC(=O)C1CCN(Cc2ccc(OCCCN3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc2)CC1
Show InChI InChI=1S/C27H36N4O5/c1-35-27(32)23-11-14-29(15-12-23)21-22-3-9-26(10-4-22)36-20-2-13-28-16-18-30(19-17-28)24-5-7-25(8-6-24)31(33)34/h3-10,23H,2,11-21H2,1H3
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UniChem
PCBioAssay
n/an/a>7.94E+4n/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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair
Galanin receptor type 3


(Homo sapiens (Human))
BDBM74521
PNG
(1-[4-[3-[4-(4-nitrophenyl)piperazino]propoxy]benzy...)
Show SMILES COC(=O)C1CCN(Cc2ccc(OCCCN3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc2)CC1
Show InChI InChI=1S/C27H36N4O5/c1-35-27(32)23-11-14-29(15-12-23)21-22-3-9-26(10-4-22)36-20-2-13-28-16-18-30(19-17-28)24-5-7-25(8-6-24)31(33)34/h3-10,23H,2,11-21H2,1H3
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n/an/a 1.33E+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/Q270802Q
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74521
PNG
(1-[4-[3-[4-(4-nitrophenyl)piperazino]propoxy]benzy...)
Show SMILES COC(=O)C1CCN(Cc2ccc(OCCCN3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc2)CC1
Show InChI InChI=1S/C27H36N4O5/c1-35-27(32)23-11-14-29(15-12-23)21-22-3-9-26(10-4-22)36-20-2-13-28-16-18-30(19-17-28)24-5-7-25(8-6-24)31(33)34/h3-10,23H,2,11-21H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
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n/an/a>7.94E+4n/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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM74521
PNG
(1-[4-[3-[4-(4-nitrophenyl)piperazino]propoxy]benzy...)
Show SMILES COC(=O)C1CCN(Cc2ccc(OCCCN3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc2)CC1
Show InChI InChI=1S/C27H36N4O5/c1-35-27(32)23-11-14-29(15-12-23)21-22-3-9-26(10-4-22)36-20-2-13-28-16-18-30(19-17-28)24-5-7-25(8-6-24)31(33)34/h3-10,23H,2,11-21H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem
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n/an/a>7.94E+4n/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/Q2VQ314Z
More data for this
Ligand-Target Pair