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SMILES: O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2ccccc12

InChI Key: InChIKey=PIHTTXCYHKHTJB-UHFFFAOYSA-N

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 = 50424467   
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))
BDBM50424467
PNG
(CHEMBL2316397)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H21N3O2/c26-21(18-11-4-9-16-8-1-2-10-17(16)18)25-19-12-5-13-23-20(19)22(27)24-14-15-6-3-7-15/h1-2,4-5,8-13,15H,3,6-7,14H2,(H,24,27)(H,25,26)
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Article
PubMed
n/an/an/an/a 23n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


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 1


(Homo sapiens (Human))
BDBM50424467
PNG
(CHEMBL2316397)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H21N3O2/c26-21(18-11-4-9-16-8-1-2-10-17(16)18)25-19-12-5-13-23-20(19)22(27)24-14-15-6-3-7-15/h1-2,4-5,8-13,15H,3,6-7,14H2,(H,24,27)(H,25,26)
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Article
PubMed
n/an/a 6.10n/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))
BDBM50424467
PNG
(CHEMBL2316397)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H21N3O2/c26-21(18-11-4-9-16-8-1-2-10-17(16)18)25-19-12-5-13-23-20(19)22(27)24-14-15-6-3-7-15/h1-2,4-5,8-13,15H,3,6-7,14H2,(H,24,27)(H,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 26n/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