new BindingDB logo
myBDB logout

BDBM50095854 CHEMBL3590620

SMILES: CCCCN1C(=O)\C(=C\Nc2ccccn2)C(=O)c2cccc(C)c12

InChI Key: InChIKey=BPQAIKZDEHGLBC-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 = 50095854   
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))
BDBM50095854
PNG
(CHEMBL3590620)
Show SMILES CCCCN1C(=O)\C(=C\Nc2ccccn2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C17H26N6O4/c1-2-3-4-5-6-7-19-16(26)13-11(24)12(25)17(27-13)23-9-22-10-14(18)20-8-21-15(10)23/h8-9,11-13,17,24-25H,2-7H2,1H3,(H,19,26)(H2,18,20,21)/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 2.39E+3n/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))
BDBM50095854
PNG
(CHEMBL3590620)
Show SMILES CCCCN1C(=O)\C(=C\Nc2ccccn2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C17H26N6O4/c1-2-3-4-5-6-7-19-16(26)13-11(24)12(25)17(27-13)23-9-22-10-14(18)20-8-21-15(10)23/h8-9,11-13,17,24-25H,2-7H2,1H3,(H,19,26)(H2,18,20,21)/t11?,12?,13-,17+/m0/s1
PDB

NCI pathway
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 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))
BDBM50095854
PNG
(CHEMBL3590620)
Show SMILES CCCCN1C(=O)\C(=C\Nc2ccccn2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C17H26N6O4/c1-2-3-4-5-6-7-19-16(26)13-11(24)12(25)17(27-13)23-9-22-10-14(18)20-8-21-15(10)23/h8-9,11-13,17,24-25H,2-7H2,1H3,(H,19,26)(H2,18,20,21)/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 2.39E+3n/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