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BDBM210351 US9290451, 109

SMILES: CCC(CC)(NC(=O)c1ccc(Cl)c(OCC2CC2)n1)C(=O)NC

InChI Key: InChIKey=ZQAYPFCIJSYLBD-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 = 210351   
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))
BDBM210351
PNG
(US9290451, 109)
Show SMILES CCC(CC)(NC(=O)c1ccc(Cl)c(OCC2CC2)n1)C(=O)NC
Show InChI InChI=1S/C17H24ClN3O3/c1-4-17(5-2,16(23)19-3)21-14(22)13-9-8-12(18)15(20-13)24-10-11-6-7-11/h8-9,11H,4-7,10H2,1-3H3,(H,19,23)(H,21,22)
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))
BDBM210351
PNG
(US9290451, 109)
Show SMILES CCC(CC)(NC(=O)c1ccc(Cl)c(OCC2CC2)n1)C(=O)NC
Show InChI InChI=1S/C17H24ClN3O3/c1-4-17(5-2,16(23)19-3)21-14(22)13-9-8-12(18)15(20-13)24-10-11-6-7-11/h8-9,11H,4-7,10H2,1-3H3,(H,19,23)(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 178n/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