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BDBM50348617 CHEMBL1801361

SMILES: CCN(CC)C(=O)CCC1(c2c(cccc2OC)-c2nccn12)c1ccc(Cl)cc1

InChI Key: InChIKey=YBTRRYYNHWVJLG-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50348617   
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 S receptor


(Homo sapiens (Human))
BDBM50348617
PNG
(CHEMBL1801361)
Show SMILES CCN(CC)C(=O)CCC1(c2c(cccc2OC)-c2nccn12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H26ClN3O2/c1-4-27(5-2)21(29)13-14-24(17-9-11-18(25)12-10-17)22-19(7-6-8-20(22)30-3)23-26-15-16-28(23)24/h6-12,15-16H,4-5,13-14H2,1-3H3
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Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50348617
PNG
(CHEMBL1801361)
Show SMILES CCN(CC)C(=O)CCC1(c2c(cccc2OC)-c2nccn12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H26ClN3O2/c1-4-27(5-2)21(29)13-14-24(17-9-11-18(25)12-10-17)22-19(7-6-8-20(22)30-3)23-26-15-16-28(23)24/h6-12,15-16H,4-5,13-14H2,1-3H3
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Article
PubMed
n/an/a 43n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) assessed as intracellular calcium level by cell based assay


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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50348617
PNG
(CHEMBL1801361)
Show SMILES CCN(CC)C(=O)CCC1(c2c(cccc2OC)-c2nccn12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H26ClN3O2/c1-4-27(5-2)21(29)13-14-24(17-9-11-18(25)12-10-17)22-19(7-6-8-20(22)30-3)23-26-15-16-28(23)24/h6-12,15-16H,4-5,13-14H2,1-3H3
PDB

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Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CB1 receptor


Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair