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BDBM50353085 CHEMBL1822926

SMILES: CCCCCCC(C)(C)c1cc(OC)c(C2CCCC(C)(O)C2)c(OC)c1

InChI Key: InChIKey=CHAQYQZXDPQLIA-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 = 50353085   
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))
BDBM50353085
PNG
(CHEMBL1822926)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c(C2CCCC(C)(O)C2)c(OC)c1
Show InChI InChI=1S/C24H40O3/c1-7-8-9-10-13-23(2,3)19-15-20(26-5)22(21(16-19)27-6)18-12-11-14-24(4,25)17-18/h15-16,18,25H,7-14,17H2,1-6H3
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PC cid
PC sid
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Similars

Article
PubMed
23n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50353085
PNG
(CHEMBL1822926)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c(C2CCCC(C)(O)C2)c(OC)c1
Show InChI InChI=1S/C24H40O3/c1-7-8-9-10-13-23(2,3)19-15-20(26-5)22(21(16-19)27-6)18-12-11-14-24(4,25)17-18/h15-16,18,25H,7-14,17H2,1-6H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.06E+3n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair