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BDBM50095844 CHEMBL3590603

SMILES: CCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2c(C)cccc12

InChI Key: InChIKey=IMWVGIWROMGXIY-SAONEMICSA-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 = 50095844   
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))
BDBM50095844
PNG
(CHEMBL3590603)
Show SMILES CCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2c(C)cccc12
Show InChI InChI=1S/C20H32N6O4/c1-2-3-4-5-6-7-8-9-10-22-19(29)16-14(27)15(28)20(30-16)26-12-25-13-17(21)23-11-24-18(13)26/h11-12,14-16,20,27-28H,2-10H2,1H3,(H,22,29)(H2,21,23,24)/t14?,15?,16-,20+/m0/s1
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PC sid
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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))
BDBM50095844
PNG
(CHEMBL3590603)
Show SMILES CCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2c(C)cccc12
Show InChI InChI=1S/C20H32N6O4/c1-2-3-4-5-6-7-8-9-10-22-19(29)16-14(27)15(28)20(30-16)26-12-25-13-17(21)23-11-24-18(13)26/h11-12,14-16,20,27-28H,2-10H2,1H3,(H,22,29)(H2,21,23,24)/t14?,15?,16-,20+/m0/s1
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 341n/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 2


(Homo sapiens (Human))
BDBM50095844
PNG
(CHEMBL3590603)
Show SMILES CCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2c(C)cccc12
Show InChI InChI=1S/C20H32N6O4/c1-2-3-4-5-6-7-8-9-10-22-19(29)16-14(27)15(28)20(30-16)26-12-25-13-17(21)23-11-24-18(13)26/h11-12,14-16,20,27-28H,2-10H2,1H3,(H,22,29)(H2,21,23,24)/t14?,15?,16-,20+/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 341n/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