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BDBM50426085 CHEMBL2316282

SMILES: CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)csc12

InChI Key: InChIKey=FZAWWBUFWDNIHB-UHFFFAOYSA-N

Data: 4 KI  1 EC50

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 = 50426085   
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 2


(Homo sapiens (Human))
BDBM50426085
PNG
(CHEMBL2316282)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)csc12
Show InChI InChI=1S/C20H28N2O2S/c1-3-4-8-11-22-12-16(18(23)17-14(2)13-25-20(17)22)19(24)21-15-9-6-5-7-10-15/h12-13,15H,3-11H2,1-2H3,(H,21,24)
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12n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50426085
PNG
(CHEMBL2316282)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)csc12
Show InChI InChI=1S/C20H28N2O2S/c1-3-4-8-11-22-12-16(18(23)17-14(2)13-25-20(17)22)19(24)21-15-9-6-5-7-10-15/h12-13,15H,3-11H2,1-2H3,(H,21,24)
KEGG

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15n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from Sprague-Dawley rat spleen CB2 receptor by scintillation counting analysis


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50426085
PNG
(CHEMBL2316282)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)csc12
Show InChI InChI=1S/C20H28N2O2S/c1-3-4-8-11-22-12-16(18(23)17-14(2)13-25-20(17)22)19(24)21-15-9-6-5-7-10-15/h12-13,15H,3-11H2,1-2H3,(H,21,24)
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86n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor expressed in CHO cell membranes after 90 mins by scintillation counting analysis


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50426085
PNG
(CHEMBL2316282)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)csc12
Show InChI InChI=1S/C20H28N2O2S/c1-3-4-8-11-22-12-16(18(23)17-14(2)13-25-20(17)22)19(24)21-15-9-6-5-7-10-15/h12-13,15H,3-11H2,1-2H3,(H,21,24)
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98n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from Sprague-Dawley rat brain CB1 receptor by scintillation counting analysis


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426085
PNG
(CHEMBL2316282)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)csc12
Show InChI InChI=1S/C20H28N2O2S/c1-3-4-8-11-22-12-16(18(23)17-14(2)13-25-20(17)22)19(24)21-15-9-6-5-7-10-15/h12-13,15H,3-11H2,1-2H3,(H,21,24)
PDB

Reactome pathway
KEGG

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UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 107n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting ...


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair