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BDBM50073070 CHEMBL3410716

SMILES: CCCCCOc1cc(Br)cc2cc(C(=O)NC3CCCCC3)c(=O)oc12

InChI Key: InChIKey=RNGSYLUPRZVMDV-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50073070   
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))
BDBM50073070
PNG
(CHEMBL3410716)
Show SMILES CCCCCOc1cc(Br)cc2cc(C(=O)NC3CCCCC3)c(=O)oc12
Show InChI InChI=1S/C21H26BrNO4/c1-2-3-7-10-26-18-13-15(22)11-14-12-17(21(25)27-19(14)18)20(24)23-16-8-5-4-6-9-16/h11-13,16H,2-10H2,1H3,(H,23,24)
PDB

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PC cid
PC sid
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Similars

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



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at CB1 receptor (unknown origin) expressed in CHO cells up to 10 uM incubated for 10 mins prior to CP55940 addition by calcium mo...


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))
BDBM50073070
PNG
(CHEMBL3410716)
Show SMILES CCCCCOc1cc(Br)cc2cc(C(=O)NC3CCCCC3)c(=O)oc12
Show InChI InChI=1S/C21H26BrNO4/c1-2-3-7-10-26-18-13-15(22)11-14-12-17(21(25)27-19(14)18)20(24)23-16-8-5-4-6-9-16/h11-13,16H,2-10H2,1H3,(H,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.19E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at CB2 receptor (unknown origin) expressed in CHO cells up to 10 uM incubated for 10 mins prior to CP55940 addition by calcium mo...


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