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BDBM50095862 CHEMBL3590612

SMILES: CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cccc(CC)c12

InChI Key: InChIKey=VDTPBYBUCBOTNQ-PNXXNBOHSA-N

Data: 2 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 2 hits for monomerid = 50095862   
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))
BDBM50095862
PNG
(CHEMBL3590612)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cccc(CC)c12
Show InChI InChI=1S/C22H36N6O4/c1-2-3-4-5-6-7-8-9-10-11-12-24-21(31)18-16(29)17(30)22(32-18)28-14-27-15-19(23)25-13-26-20(15)28/h13-14,16-18,22,29-30H,2-12H2,1H3,(H,24,31)(H2,23,25,26)/t16?,17?,18-,22+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095862
PNG
(CHEMBL3590612)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cccc(CC)c12
Show InChI InChI=1S/C22H36N6O4/c1-2-3-4-5-6-7-8-9-10-11-12-24-21(31)18-16(29)17(30)22(32-18)28-14-27-15-19(23)25-13-26-20(15)28/h13-14,16-18,22,29-30H,2-12H2,1H3,(H,24,31)(H2,23,25,26)/t16?,17?,18-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair