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SMILES: O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccnc2ccccc12

InChI Key: InChIKey=NQPGPOHDYDEIQR-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 = 50424466   
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))
BDBM50424466
PNG
(CHEMBL2316403)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccnc2ccccc12
Show InChI InChI=1S/C21H20N4O2/c26-20(16-10-12-22-17-8-2-1-7-15(16)17)25-18-9-4-11-23-19(18)21(27)24-13-14-5-3-6-14/h1-2,4,7-12,14H,3,5-6,13H2,(H,24,27)(H,25,26)
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n/an/an/an/a 79n/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))
BDBM50424466
PNG
(CHEMBL2316403)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccnc2ccccc12
Show InChI InChI=1S/C21H20N4O2/c26-20(16-10-12-22-17-8-2-1-7-15(16)17)25-18-9-4-11-23-19(18)21(27)24-13-14-5-3-6-14/h1-2,4,7-12,14H,3,5-6,13H2,(H,24,27)(H,25,26)
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Article
PubMed
n/an/a 28n/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))
BDBM50424466
PNG
(CHEMBL2316403)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccnc2ccccc12
Show InChI InChI=1S/C21H20N4O2/c26-20(16-10-12-22-17-8-2-1-7-15(16)17)25-18-9-4-11-23-19(18)21(27)24-13-14-5-3-6-14/h1-2,4,7-12,14H,3,5-6,13H2,(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 82n/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