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BDBM50095842 CHEMBL3590605

SMILES: CCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cccc(C)c12

InChI Key: InChIKey=FCAHXBLMILKKQK-GJQKKFNSSA-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 = 50095842   
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))
BDBM50095842
PNG
(CHEMBL3590605)
Show SMILES CCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C11H14N6O5/c1-21-16-10(20)7-5(18)6(19)11(22-7)17-3-15-4-8(12)13-2-14-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,16,20)(H2,12,13,14)/t5?,6?,7-,11+/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))
BDBM50095842
PNG
(CHEMBL3590605)
Show SMILES CCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C11H14N6O5/c1-21-16-10(20)7-5(18)6(19)11(22-7)17-3-15-4-8(12)13-2-14-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,16,20)(H2,12,13,14)/t5?,6?,7-,11+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.79E+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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095842
PNG
(CHEMBL3590605)
Show SMILES CCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C11H14N6O5/c1-21-16-10(20)7-5(18)6(19)11(22-7)17-3-15-4-8(12)13-2-14-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,16,20)(H2,12,13,14)/t5?,6?,7-,11+/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 1.79E+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