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BDBM50154632 CHEMBL3775709

SMILES: CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(nc12)N1CCN(C)CC1

InChI Key: InChIKey=WAABWAULWVMNQT-UHFFFAOYSA-N

Data: 2 KI

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 = 50154632   
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))
BDBM50154632
PNG
(CHEMBL3775709)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(nc12)N1CCN(C)CC1
Show InChI InChI=1S/C22H35N7O2/c1-3-4-8-11-28-16-18(19(30)23-17-9-6-5-7-10-17)20(31)29-22(28)24-21(25-29)27-14-12-26(2)13-15-27/h16-17H,3-15H2,1-2H3,(H,23,30)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis


Eur J Med Chem 113: 11-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.032
BindingDB Entry DOI: 10.7270/Q21J9CPC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50154632
PNG
(CHEMBL3775709)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(nc12)N1CCN(C)CC1
Show InChI InChI=1S/C22H35N7O2/c1-3-4-8-11-28-16-18(19(30)23-17-9-6-5-7-10-17)20(31)29-22(28)24-21(25-29)27-14-12-26(2)13-15-27/h16-17H,3-15H2,1-2H3,(H,23,30)
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cell membranes after 90 mins by scintillation counting analysis


Eur J Med Chem 113: 11-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.032
BindingDB Entry DOI: 10.7270/Q21J9CPC
More data for this
Ligand-Target Pair