BindingDB logo
myBDB logout

BDBM50395162 CHEMBL2163935

SMILES: CCCC1COc2cccc3c2n1cc(C(=O)NC1CCCCC1)c3=O

InChI Key: InChIKey=MKWYNMOMAKOQKY-UHFFFAOYSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50395162   
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))
BDBM50395162
PNG
(CHEMBL2163935)
Show SMILES CCCC1COc2cccc3c2n1cc(C(=O)NC1CCCCC1)c3=O
Show InChI InChI=1S/C21H26N2O3/c1-2-7-15-13-26-18-11-6-10-16-19(18)23(15)12-17(20(16)24)21(25)22-14-8-4-3-5-9-14/h6,10-12,14-15H,2-5,7-9,13H2,1H3,(H,22,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.320n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50395162
PNG
(CHEMBL2163935)
Show SMILES CCCC1COc2cccc3c2n1cc(C(=O)NC1CCCCC1)c3=O
Show InChI InChI=1S/C21H26N2O3/c1-2-7-15-13-26-18-11-6-10-16-19(18)23(15)12-17(20(16)24)21(25)22-14-8-4-3-5-9-14/h6,10-12,14-15H,2-5,7-9,13H2,1H3,(H,22,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.84n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in Sprague-Dawley rat spleen by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50395162
PNG
(CHEMBL2163935)
Show SMILES CCCC1COc2cccc3c2n1cc(C(=O)NC1CCCCC1)c3=O
Show InChI InChI=1S/C21H26N2O3/c1-2-7-15-13-26-18-11-6-10-16-19(18)23(15)12-17(20(16)24)21(25)22-14-8-4-3-5-9-14/h6,10-12,14-15H,2-5,7-9,13H2,1H3,(H,22,25)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10.2n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cell membranes incubated for 90 mins by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50395162
PNG
(CHEMBL2163935)
Show SMILES CCCC1COc2cccc3c2n1cc(C(=O)NC1CCCCC1)c3=O
Show InChI InChI=1S/C21H26N2O3/c1-2-7-15-13-26-18-11-6-10-16-19(18)23(15)12-17(20(16)24)21(25)22-14-8-4-3-5-9-14/h6,10-12,14-15H,2-5,7-9,13H2,1H3,(H,22,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
13.4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50395162
PNG
(CHEMBL2163935)
Show SMILES CCCC1COc2cccc3c2n1cc(C(=O)NC1CCCCC1)c3=O
Show InChI InChI=1S/C21H26N2O3/c1-2-7-15-13-26-18-11-6-10-16-19(18)23(15)12-17(20(16)24)21(25)22-14-8-4-3-5-9-14/h6,10-12,14-15H,2-5,7-9,13H2,1H3,(H,22,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.53n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-induced cAMP accumulation


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
More data for this
Ligand-Target Pair