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BDBM50073067 CHEMBL3410812

SMILES: CCCCCOc1ccc(cc1SCCCCC)C(=O)NCCc1ccc(N)cc1

InChI Key: InChIKey=DABRITKOKIJFLE-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 = 50073067   
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))
BDBM50073067
PNG
(CHEMBL3410812)
Show SMILES CCCCCOc1ccc(cc1SCCCCC)C(=O)NCCc1ccc(N)cc1
Show InChI InChI=1S/C25H36N2O2S/c1-3-5-7-17-29-23-14-11-21(19-24(23)30-18-8-6-4-2)25(28)27-16-15-20-9-12-22(26)13-10-20/h9-14,19H,3-8,15-18,26H2,1-2H3,(H,27,28)
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PC cid
PC sid
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Similars

Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50073067
PNG
(CHEMBL3410812)
Show SMILES CCCCCOc1ccc(cc1SCCCCC)C(=O)NCCc1ccc(N)cc1
Show InChI InChI=1S/C25H36N2O2S/c1-3-5-7-17-29-23-14-11-21(19-24(23)30-18-8-6-4-2)25(28)27-16-15-20-9-12-22(26)13-10-20/h9-14,19H,3-8,15-18,26H2,1-2H3,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair