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BDBM50095848 CHEMBL3590626

SMILES: CCCCN1C(=O)\C(=C\NN2CCOCC2)C(=O)c2cccc(C)c12

InChI Key: InChIKey=KPWDTXHVLJHBRL-JJOHEJHASA-N

Data: 3 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 = 50095848   
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 2


(Homo sapiens (Human))
BDBM50095848
PNG
(CHEMBL3590626)
Show SMILES CCCCN1C(=O)\C(=C\NN2CCOCC2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C17H24N6O4/c18-14-10-15(20-7-19-14)23(8-21-10)17-12(25)11(24)13(27-17)16(26)22-9-5-3-1-2-4-6-9/h7-9,11-13,17,24-25H,1-6H2,(H,22,26)(H2,18,19,20)/t11?,12?,13-,17+/m0/s1
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PC cid
PC sid
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n/an/an/an/a 477n/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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50095848
PNG
(CHEMBL3590626)
Show SMILES CCCCN1C(=O)\C(=C\NN2CCOCC2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C17H24N6O4/c18-14-10-15(20-7-19-14)23(8-21-10)17-12(25)11(24)13(27-17)16(26)22-9-5-3-1-2-4-6-9/h7-9,11-13,17,24-25H,1-6H2,(H,22,26)(H2,18,19,20)/t11?,12?,13-,17+/m0/s1
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PC sid
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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))
BDBM50095848
PNG
(CHEMBL3590626)
Show SMILES CCCCN1C(=O)\C(=C\NN2CCOCC2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C17H24N6O4/c18-14-10-15(20-7-19-14)23(8-21-10)17-12(25)11(24)13(27-17)16(26)22-9-5-3-1-2-4-6-9/h7-9,11-13,17,24-25H,1-6H2,(H,22,26)(H2,18,19,20)/t11?,12?,13-,17+/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 476n/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