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BDBM50042908 CHEMBL3354557

SMILES: O=C(Nc1cc(no1)C1CCCC1)[C@@H]1CCCCN1C(=O)N1CCS(=O)(=O)CC1

InChI Key: InChIKey=GTAJPUCRGWVFRD-INIZCTEOSA-N

Data: 2 EC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50042908   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042908
PNG
(CHEMBL3354557)
Show SMILES O=C(Nc1cc(no1)C1CCCC1)[C@@H]1CCCCN1C(=O)N1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1S/C19H28N4O5S/c24-18(20-17-13-15(21-28-17)14-5-1-2-6-14)16-7-3-4-8-23(16)19(25)22-9-11-29(26,27)12-10-22/h13-14,16H,1-12H2,(H,20,24)/t16-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
BindingDB Entry DOI: 10.7270/Q2QZ2CM5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042908
PNG
(CHEMBL3354557)
Show SMILES O=C(Nc1cc(no1)C1CCCC1)[C@@H]1CCCCN1C(=O)N1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1S/C19H28N4O5S/c24-18(20-17-13-15(21-28-17)14-5-1-2-6-14)16-7-3-4-8-23(16)19(25)22-9-11-29(26,27)12-10-22/h13-14,16H,1-12H2,(H,20,24)/t16-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 69n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
BindingDB Entry DOI: 10.7270/Q2QZ2CM5
More data for this
Ligand-Target Pair