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SMILES: CCCCCn1cc(C(=O)NN2CCCCC2)c(=O)c2ccc(Sc3ccccc3)cc12

InChI Key: InChIKey=ZQSCPHDJBUPVLZ-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50392575   
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))
BDBM50392575
PNG
(CHEMBL2152826)
Show SMILES CCCCCn1cc(C(=O)NN2CCCCC2)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C26H31N3O2S/c1-2-3-8-15-28-19-23(26(31)27-29-16-9-5-10-17-29)25(30)22-14-13-21(18-24(22)28)32-20-11-6-4-7-12-20/h4,6-7,11-14,18-19H,2-3,5,8-10,15-17H2,1H3,(H,27,31)
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
13.3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392575
PNG
(CHEMBL2152826)
Show SMILES CCCCCn1cc(C(=O)NN2CCCCC2)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C26H31N3O2S/c1-2-3-8-15-28-19-23(26(31)27-29-16-9-5-10-17-29)25(30)22-14-13-21(18-24(22)28)32-20-11-6-4-7-12-20/h4,6-7,11-14,18-19H,2-3,5,8-10,15-17H2,1H3,(H,27,31)
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
28.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair