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BDBM50023630 CHEMBL3341862

SMILES: Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCCC2)cc1

InChI Key: InChIKey=WTZBQRKRMSBFEP-UHFFFAOYSA-N

Data: 2 IC50

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 = 50023630   
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))
BDBM50023630
PNG
(CHEMBL3341862)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCCC2)cc1
Show InChI InChI=1S/C23H23ClN4O/c24-18-10-12-19(13-11-18)25-23(29)26-20-7-4-6-17(16-20)21-8-5-9-22(27-21)28-14-2-1-3-15-28/h4-13,16H,1-3,14-15H2,(H2,25,26,29)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells after 1 hr by scintillation counting


J Med Chem 57: 7758-69 (2014)


Article DOI: 10.1021/jm501042u
BindingDB Entry DOI: 10.7270/Q26W9CNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023630
PNG
(CHEMBL3341862)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCCC2)cc1
Show InChI InChI=1S/C23H23ClN4O/c24-18-10-12-19(13-11-18)25-23(29)26-20-7-4-6-17(16-20)21-8-5-9-22(27-21)28-14-2-1-3-15-28/h4-13,16H,1-3,14-15H2,(H2,25,26,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 95n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor stably expressed in CHO-RD-HGA16 cells assessed as inhibition of CP55,940-induced calcium mobilization afte...


J Med Chem 57: 7758-69 (2014)


Article DOI: 10.1021/jm501042u
BindingDB Entry DOI: 10.7270/Q26W9CNX
More data for this
Ligand-Target Pair