BindingDB logo
myBDB logout

BDBM210308 US9290451, 81

SMILES: CCC(CC)(NC(=O)c1ccc(OC)c(n1)-c1cccc(Cl)c1)C(=O)NC

InChI Key: InChIKey=ZBZZGDPXELZQMT-UHFFFAOYSA-N

Data: 2 EC50

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 = 210308   
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))
BDBM210308
PNG
(US9290451, 81)
Show SMILES CCC(CC)(NC(=O)c1ccc(OC)c(n1)-c1cccc(Cl)c1)C(=O)NC
Show InChI InChI=1S/C20H24ClN3O3/c1-5-20(6-2,19(26)22-3)24-18(25)15-10-11-16(27-4)17(23-15)13-8-7-9-14(21)12-13/h7-12H,5-6H2,1-4H3,(H,22,26)(H,24,25)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM210308
PNG
(US9290451, 81)
Show SMILES CCC(CC)(NC(=O)c1ccc(OC)c(n1)-c1cccc(Cl)c1)C(=O)NC
Show InChI InChI=1S/C20H24ClN3O3/c1-5-20(6-2,19(26)22-3)24-18(25)15-10-11-16(27-4)17(23-15)13-8-7-9-14(21)12-13/h7-12H,5-6H2,1-4H3,(H,22,26)(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 417n/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair