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SMILES: O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2cnccc12

InChI Key: InChIKey=XDAVPJKKUQBJRX-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 = 50424482   
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))
BDBM50424482
PNG
(CHEMBL2316401)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2cnccc12
Show InChI InChI=1S/C21H20N4O2/c26-20(17-7-2-6-15-13-22-11-9-16(15)17)25-18-8-3-10-23-19(18)21(27)24-12-14-4-1-5-14/h2-3,6-11,13-14H,1,4-5,12H2,(H,24,27)(H,25,26)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
BindingDB Entry DOI: 10.7270/Q2057H7B
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424482
PNG
(CHEMBL2316401)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2cnccc12
Show InChI InChI=1S/C21H20N4O2/c26-20(17-7-2-6-15-13-22-11-9-16(15)17)25-18-8-3-10-23-19(18)21(27)24-12-14-4-1-5-14/h2-3,6-11,13-14H,1,4-5,12H2,(H,24,27)(H,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
BindingDB Entry DOI: 10.7270/Q2057H7B
More data for this
Ligand-Target Pair