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SMILES: CCCCN1C(=O)\C(=C\NCC2CCC2)C(=O)c2cccc(C)c12

InChI Key: InChIKey=HDHDZFOKOBYFND-GMVKYCMCSA-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 = 50095850   
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))
BDBM50095850
PNG
(CHEMBL3590624)
Show SMILES CCCCN1C(=O)\C(=C\NCC2CCC2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C12H13N5O4/c1-2-5(18)9-7(19)8(20)12(21-9)17-4-16-6-10(13)14-3-15-11(6)17/h1,3-5,7-9,12,18-20H,(H2,13,14,15)/t5?,7?,8?,9-,12-/m1/s1
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Article
PubMed
n/an/an/an/a 220n/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))
BDBM50095850
PNG
(CHEMBL3590624)
Show SMILES CCCCN1C(=O)\C(=C\NCC2CCC2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C12H13N5O4/c1-2-5(18)9-7(19)8(20)12(21-9)17-4-16-6-10(13)14-3-15-11(6)17/h1,3-5,7-9,12,18-20H,(H2,13,14,15)/t5?,7?,8?,9-,12-/m1/s1
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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))
BDBM50095850
PNG
(CHEMBL3590624)
Show SMILES CCCCN1C(=O)\C(=C\NCC2CCC2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C12H13N5O4/c1-2-5(18)9-7(19)8(20)12(21-9)17-4-16-6-10(13)14-3-15-11(6)17/h1,3-5,7-9,12,18-20H,(H2,13,14,15)/t5?,7?,8?,9-,12-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 220n/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