new BindingDB logo
myBDB logout

BDBM50431805 CHEMBL2347043

SMILES: CCCCCCCC\C=C/CCCCCCCCNC(=O)c1cc(-c2ccccc2)n(n1)-c1ccccc1

InChI Key: InChIKey=UBUPXEKWNRMJAE-KTKRTIGZSA-N

Data: 2 KI

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 2 hits for monomerid = 50431805   
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))
BDBM50431805
PNG
(CHEMBL2347043)
Show SMILES CCCCCCCC\C=C/CCCCCCCCNC(=O)c1cc(-c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C34H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-35-34(38)32-29-33(30-24-19-17-20-25-30)37(36-32)31-26-21-18-22-27-31/h9-10,17-22,24-27,29H,2-8,11-16,23,28H2,1H3,(H,35,38)/b10-9-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+4n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor after 90 mins by liquid scintillation spectrophotometer analysis


Bioorg Med Chem 21: 1708-16 (2013)


Article DOI: 10.1016/j.bmc.2013.01.055
BindingDB Entry DOI: 10.7270/Q2MG7QW1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50431805
PNG
(CHEMBL2347043)
Show SMILES CCCCCCCC\C=C/CCCCCCCCNC(=O)c1cc(-c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C34H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-35-34(38)32-29-33(30-24-19-17-20-25-30)37(36-32)31-26-21-18-22-27-31/h9-10,17-22,24-27,29H,2-8,11-16,23,28H2,1H3,(H,35,38)/b10-9-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+4n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 90 mins by liquid scintillation spectrophotometer analysis


Bioorg Med Chem 21: 1708-16 (2013)


Article DOI: 10.1016/j.bmc.2013.01.055
BindingDB Entry DOI: 10.7270/Q2MG7QW1
More data for this
Ligand-Target Pair