new BindingDB logo
myBDB logout

BDBM50095884 CHEMBL3590644

SMILES: CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(ccc12)C(C)(C)C

InChI Key: InChIKey=DYLHJBFGRXOBIF-HEHNFIMWSA-N

Data: 2 IC50

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 2 hits for monomerid = 50095884   
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))
BDBM50095884
PNG
(CHEMBL3590644)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(ccc12)C(C)(C)C
Show InChI InChI=1S/C25H36N2O2/c1-5-6-10-15-27-22-14-13-18(25(2,3)4)16-20(22)23(28)21(24(27)29)17-26-19-11-8-7-9-12-19/h13-14,16-17,19,26H,5-12,15H2,1-4H3/b21-17+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


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))
BDBM50095884
PNG
(CHEMBL3590644)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(ccc12)C(C)(C)C
Show InChI InChI=1S/C25H36N2O2/c1-5-6-10-15-27-22-14-13-18(25(2,3)4)16-20(22)23(28)21(24(27)29)17-26-19-11-8-7-9-12-19/h13-14,16-17,19,26H,5-12,15H2,1-4H3/b21-17+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


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