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BDBM50055437 CHEMBL3321779

SMILES: CCCCCc1cc(O)cc(OCCCCCCCCCCCNCc2ccccc2)c1

InChI Key: InChIKey=ITMNFAXQPPELKG-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 = 50055437   
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))
BDBM50055437
PNG
(CHEMBL3321779)
Show SMILES CCCCCc1cc(O)cc(OCCCCCCCCCCCNCc2ccccc2)c1
Show InChI InChI=1S/C29H45NO2/c1-2-3-12-19-27-22-28(31)24-29(23-27)32-21-16-10-8-6-4-5-7-9-15-20-30-25-26-17-13-11-14-18-26/h11,13-14,17-18,22-24,30-31H,2-10,12,15-16,19-21,25H2,1H3
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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
830n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 22: 4770-83 (2014)


Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50055437
PNG
(CHEMBL3321779)
Show SMILES CCCCCc1cc(O)cc(OCCCCCCCCCCCNCc2ccccc2)c1
Show InChI InChI=1S/C29H45NO2/c1-2-3-12-19-27-22-28(31)24-29(23-27)32-21-16-10-8-6-4-5-7-9-15-20-30-25-26-17-13-11-14-18-26/h11,13-14,17-18,22-24,30-31H,2-10,12,15-16,19-21,25H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.24E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 22: 4770-83 (2014)


Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG
More data for this
Ligand-Target Pair