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BDBM50055447 CHEMBL3323689

SMILES: CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NC23CC4CC(CC(C4)C2)C3)c1

InChI Key: InChIKey=GEXKQASKTSQDAL-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 = 50055447   
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 1


(Homo sapiens (Human))
BDBM50055447
PNG
(CHEMBL3323689)
Show SMILES CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:28:29:32:36.35.34,THB:30:31:34:38.29.37,30:29:32.31.36:34,37:29:32:36.35.34,37:35:32:38.30.29|
Show InChI InChI=1S/C36H59NO3/c1-4-5-6-14-17-35(2,3)31-22-32(38)24-33(23-31)40-18-15-12-10-8-7-9-11-13-16-34(39)37-36-25-28-19-29(26-36)21-30(20-28)27-36/h22-24,28-30,38H,4-21,25-27H2,1-3H3,(H,37,39)
PDB

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KEGG

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PC sid
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Similars

Article
PubMed
>1.00E+4n/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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50055447
PNG
(CHEMBL3323689)
Show SMILES CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:28:29:32:36.35.34,THB:30:31:34:38.29.37,30:29:32.31.36:34,37:29:32:36.35.34,37:35:32:38.30.29|
Show InChI InChI=1S/C36H59NO3/c1-4-5-6-14-17-35(2,3)31-22-32(38)24-33(23-31)40-18-15-12-10-8-7-9-11-13-16-34(39)37-36-25-28-19-29(26-36)21-30(20-28)27-36/h22-24,28-30,38H,4-21,25-27H2,1-3H3,(H,37,39)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/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