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SMILES: [#6]-[#6]-1-[#6]-[#6](-[#6])-[#6]\[#7+](-[#6]-1)=[#6]-1/[#6]C([#6])([#6])[#6]-[#6](=[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1

InChI Key: InChIKey=FQMNXKJTBBWHTO-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 = 42457   
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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM42457
PNG
(1-(5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-en-1-...)
Show SMILES [#6]-[#6]-1-[#6]-[#6](-[#6])-[#6]\[#7+](-[#6]-1)=[#6]-1/[#6]C([#6])([#6])[#6]-[#6](=[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |c:15|
Show InChI InChI=1S/C19H33N2/c1-15-9-16(2)14-21(13-15)18-10-17(11-19(3,4)12-18)20-7-5-6-8-20/h10,15-16H,5-9,11-14H2,1-4H3/q+1
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n/an/a 1.51E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2ZS2TWK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM42457
PNG
(1-(5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-en-1-...)
Show SMILES [#6]-[#6]-1-[#6]-[#6](-[#6])-[#6]\[#7+](-[#6]-1)=[#6]-1/[#6]C([#6])([#6])[#6]-[#6](=[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |c:15|
Show InChI InChI=1S/C19H33N2/c1-15-9-16(2)14-21(13-15)18-10-17(11-19(3,4)12-18)20-7-5-6-8-20/h10,15-16H,5-9,11-14H2,1-4H3/q+1
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n/an/a>3.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2V1235Z
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM42457
PNG
(1-(5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-en-1-...)
Show SMILES [#6]-[#6]-1-[#6]-[#6](-[#6])-[#6]\[#7+](-[#6]-1)=[#6]-1/[#6]C([#6])([#6])[#6]-[#6](=[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |c:15|
Show InChI InChI=1S/C19H33N2/c1-15-9-16(2)14-21(13-15)18-10-17(11-19(3,4)12-18)20-7-5-6-8-20/h10,15-16H,5-9,11-14H2,1-4H3/q+1
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n/an/a 7.24E+3n/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/Q25M6443
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1


(Homo sapiens (Human))
BDBM42457
PNG
(1-(5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-en-1-...)
Show SMILES [#6]-[#6]-1-[#6]-[#6](-[#6])-[#6]\[#7+](-[#6]-1)=[#6]-1/[#6]C([#6])([#6])[#6]-[#6](=[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |c:15|
Show InChI InChI=1S/C19H33N2/c1-15-9-16(2)14-21(13-15)18-10-17(11-19(3,4)12-18)20-7-5-6-8-20/h10,15-16H,5-9,11-14H2,1-4H3/q+1
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n/an/an/an/a 2.22E+3n/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/Q2CN72C0
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM42457
PNG
(1-(5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-en-1-...)
Show SMILES [#6]-[#6]-1-[#6]-[#6](-[#6])-[#6]\[#7+](-[#6]-1)=[#6]-1/[#6]C([#6])([#6])[#6]-[#6](=[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |c:15|
Show InChI InChI=1S/C19H33N2/c1-15-9-16(2)14-21(13-15)18-10-17(11-19(3,4)12-18)20-7-5-6-8-20/h10,15-16H,5-9,11-14H2,1-4H3/q+1
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n/an/a 1.23E+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/Q23R0R8T
More data for this
Ligand-Target Pair