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BDBM50424468 CHEMBL2316396

SMILES: O=C(Nc1cccnc1C(=O)NCC1CCOCC1)c1cccc2ccccc12

InChI Key: InChIKey=KQLKVUTUWJRUOQ-UHFFFAOYSA-N

Data: 2 IC50  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 3 hits for monomerid = 50424468   
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))
BDBM50424468
PNG
(CHEMBL2316396)
Show SMILES O=C(Nc1cccnc1C(=O)NCC1CCOCC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H23N3O3/c27-22(19-8-3-6-17-5-1-2-7-18(17)19)26-20-9-4-12-24-21(20)23(28)25-15-16-10-13-29-14-11-16/h1-9,12,16H,10-11,13-15H2,(H,25,28)(H,26,27)
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PC cid
PC sid
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n/an/an/an/a 81n/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))
BDBM50424468
PNG
(CHEMBL2316396)
Show SMILES O=C(Nc1cccnc1C(=O)NCC1CCOCC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H23N3O3/c27-22(19-8-3-6-17-5-1-2-7-18(17)19)26-20-9-4-12-24-21(20)23(28)25-15-16-10-13-29-14-11-16/h1-9,12,16H,10-11,13-15H2,(H,25,28)(H,26,27)
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PC cid
PC sid
UniChem
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n/an/a 31n/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))
BDBM50424468
PNG
(CHEMBL2316396)
Show SMILES O=C(Nc1cccnc1C(=O)NCC1CCOCC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H23N3O3/c27-22(19-8-3-6-17-5-1-2-7-18(17)19)26-20-9-4-12-24-21(20)23(28)25-15-16-10-13-29-14-11-16/h1-9,12,16H,10-11,13-15H2,(H,25,28)(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/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