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Target
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 439.5
BDBM50443396
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
3
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Neuropeptide S receptor
(Homo sapiens (Human))
BDBM50443396
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
16
n/a
n/a
n/a
n/a
n/a
n/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
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
32
n/a
n/a
n/a
n/a
n/a
n/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
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
1.30E+3
n/a
n/a
n/a
n/a
n/a
n/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