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BDBM50095883 CHEMBL3590643

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

InChI Key: InChIKey=AYNPECMLCUXCNW-XDJHFCHBSA-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 = 50095883   
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))
BDBM50095883
PNG
(CHEMBL3590643)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(C)ccc12
Show InChI InChI=1S/C22H30N2O2/c1-3-4-8-13-24-20-12-11-16(2)14-18(20)21(25)19(22(24)26)15-23-17-9-6-5-7-10-17/h11-12,14-15,17,23H,3-10,13H2,1-2H3/b19-15+
PDB

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UniProtKB/SwissProt

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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))
BDBM50095883
PNG
(CHEMBL3590643)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2cc(C)ccc12
Show InChI InChI=1S/C22H30N2O2/c1-3-4-8-13-24-20-12-11-16(2)14-18(20)21(25)19(22(24)26)15-23-17-9-6-5-7-10-17/h11-12,14-15,17,23H,3-10,13H2,1-2H3/b19-15+
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