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6 similar compounds to monomer 89034

Compile data set for download or QSAR
Wt: 453.5
BDBM96033
Wt: 453.5
BDBM50443395
Wt: 439.5
BDBM50443396
Wt: 348.4
BDBM50443398
Wt: 349.4
BDBM50443412
Wt: 467.5
BDBM50443415

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 96033,50443395,50443396,50443398,50443412,50443415   
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
tumor necrosis factor receptor superfamily member 10B isoform 1 precursor [Homo sapiens]


(Homo sapiens (Human))
BDBM96033
PNG
((2-methyl-1-phenethyl-imidazo[1,2-a]pyridin-4-ium-...)
Show SMILES Cc1c([n+]2ccccc2n1CCc1ccccc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H26N2PS/c1-23-28(31(32,25-15-7-3-8-16-25)26-17-9-4-10-18-26)30-21-12-11-19-27(30)29(23)22-20-24-13-5-2-6-14-24/h2-19,21H,20,22H2,1H3/q+1
PDB
MMDB

KEGG

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B.MOAD
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PCBioAssay
n/an/an/an/a>1.25E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2P55M4P
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50443395
PNG
(CHEMBL1315807)
Show SMILES Cc1c(n2ccccc2[n+]1CCc1ccccc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H26N2PS/c1-23-28(31(32,25-15-7-3-8-16-25)26-17-9-4-10-18-26)30-21-12-11-19-27(30)29(23)22-20-24-13-5-2-6-14-24/h2-19,21H,20,22H2,1H3/q+1
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n/an/a 16n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced ERK activation after 20 ...


J Med Chem 56: 9045-56 (2013)


Article DOI: 10.1021/jm400904m
BindingDB Entry DOI: 10.7270/Q2NG4S3Q
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50443396
PNG
(CHEMBL3086833)
Show SMILES Cc1c(n2ccccc2[n+]1Cc1ccccc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H24N2PS/c1-22-27(30(31,24-15-7-3-8-16-24)25-17-9-4-10-18-25)28-20-12-11-19-26(28)29(22)21-23-13-5-2-6-14-23/h2-20H,21H2,1H3/q+1
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n/an/a 16n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced ERK activation after 20 ...


J Med Chem 56: 9045-56 (2013)


Article DOI: 10.1021/jm400904m
BindingDB Entry DOI: 10.7270/Q2NG4S3Q
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50443398
PNG
(CHEMBL1514777)
Show SMILES Cc1nc2ccccn2c1P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H17N2PS/c1-16-20(22-15-9-8-14-19(22)21-16)23(24,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3
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n/an/a 9.10n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced ERK activation after 20 ...


J Med Chem 56: 9045-56 (2013)


Article DOI: 10.1021/jm400904m
BindingDB Entry DOI: 10.7270/Q2NG4S3Q
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50443395
PNG
(CHEMBL1315807)
Show SMILES Cc1c(n2ccccc2[n+]1CCc1ccccc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H26N2PS/c1-23-28(31(32,25-15-7-3-8-16-25)26-17-9-4-10-18-26)30-21-12-11-19-27(30)29(23)22-20-24-13-5-2-6-14-24/h2-19,21H,20,22H2,1H3/q+1
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n/an/a 73n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced calcium mobilization aft...


J Med Chem 56: 9045-56 (2013)


Article DOI: 10.1021/jm400904m
BindingDB Entry DOI: 10.7270/Q2NG4S3Q
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50443396
PNG
(CHEMBL3086833)
Show SMILES Cc1c(n2ccccc2[n+]1Cc1ccccc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H24N2PS/c1-22-27(30(31,24-15-7-3-8-16-24)25-17-9-4-10-18-25)28-20-12-11-19-26(28)29(22)21-23-13-5-2-6-14-23/h2-20H,21H2,1H3/q+1
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n/an/a 32n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced calcium mobilization aft...


J Med Chem 56: 9045-56 (2013)


Article DOI: 10.1021/jm400904m
BindingDB Entry DOI: 10.7270/Q2NG4S3Q
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50443398
PNG
(CHEMBL1514777)
Show SMILES Cc1nc2ccccn2c1P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H17N2PS/c1-16-20(22-15-9-8-14-19(22)21-16)23(24,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as cAMP level after 30 mins by phosphate-buffered sal...


J Med Chem 56: 9045-56 (2013)


Article DOI: 10.1021/jm400904m
BindingDB Entry DOI: 10.7270/Q2NG4S3Q
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50443398
PNG
(CHEMBL1514777)
Show SMILES Cc1nc2ccccn2c1P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H17N2PS/c1-16-20(22-15-9-8-14-19(22)21-16)23(24,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced calcium mobilization aft...


J Med Chem 56: 9045-56 (2013)


Article DOI: 10.1021/jm400904m
BindingDB Entry DOI: 10.7270/Q2NG4S3Q
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50443415
PNG
(CHEMBL3086835)
Show SMILES Cc1c(n2ccccc2[n+]1CCCc1ccccc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H28N2PS/c1-24-29(32(33,26-17-7-3-8-18-26)27-19-9-4-10-20-27)31-22-12-11-21-28(31)30(24)23-13-16-25-14-5-2-6-15-25/h2-12,14-15,17-22H,13,16,23H2,1H3/q+1
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n/an/a 110n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as cAMP level after 30 mins by phosphate-buffered sal...


J Med Chem 56: 9045-56 (2013)


Article DOI: 10.1021/jm400904m
BindingDB Entry DOI: 10.7270/Q2NG4S3Q
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50443395
PNG
(CHEMBL1315807)
Show SMILES Cc1c(n2ccccc2[n+]1CCc1ccccc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H26N2PS/c1-23-28(31(32,25-15-7-3-8-16-25)26-17-9-4-10-18-26)30-21-12-11-19-27(30)29(23)22-20-24-13-5-2-6-14-24/h2-19,21H,20,22H2,1H3/q+1
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n/an/a 2.10E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as cAMP level after 30 mins by phosphate-buffered sal...


J Med Chem 56: 9045-56 (2013)


Article DOI: 10.1021/jm400904m
BindingDB Entry DOI: 10.7270/Q2NG4S3Q
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50443396
PNG
(CHEMBL3086833)
Show SMILES Cc1c(n2ccccc2[n+]1Cc1ccccc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H24N2PS/c1-22-27(30(31,24-15-7-3-8-16-24)25-17-9-4-10-18-25)28-20-12-11-19-26(28)29(22)21-23-13-5-2-6-14-23/h2-20H,21H2,1H3/q+1
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as cAMP level after 30 mins by phosphate-buffered sal...


J Med Chem 56: 9045-56 (2013)


Article DOI: 10.1021/jm400904m
BindingDB Entry DOI: 10.7270/Q2NG4S3Q
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50443412
PNG
(CHEMBL3086829)
Show SMILES C[n+]1cc(n2ccccc12)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H18N2PS/c1-21-16-20(22-15-9-8-14-19(21)22)23(24,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16H,1H3/q+1
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n/an/a 3.90E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as cAMP level after 30 mins by phosphate-buffered sal...


J Med Chem 56: 9045-56 (2013)


Article DOI: 10.1021/jm400904m
BindingDB Entry DOI: 10.7270/Q2NG4S3Q
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50443412
PNG
(CHEMBL3086829)
Show SMILES C[n+]1cc(n2ccccc12)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H18N2PS/c1-21-16-20(22-15-9-8-14-19(21)22)23(24,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16H,1H3/q+1
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n/an/a 2.50E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced calcium mobilization aft...


J Med Chem 56: 9045-56 (2013)


Article DOI: 10.1021/jm400904m
BindingDB Entry DOI: 10.7270/Q2NG4S3Q
More data for this
Ligand-Target Pair