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SMILES: Fc1ccc(Cc2nc(ccc2C2CC2)C(=O)N[C@@H](c2ccccn2)C(F)(F)F)cc1

InChI Key: InChIKey=YROBXCICKBIXFB-NRFANRHFSA-N

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 = 210666   
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))
BDBM210666
PNG
(US9290451, 332)
Show SMILES Fc1ccc(Cc2nc(ccc2C2CC2)C(=O)N[C@@H](c2ccccn2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C23H19F4N3O/c24-16-8-4-14(5-9-16)13-20-17(15-6-7-15)10-11-19(29-20)22(31)30-21(23(25,26)27)18-3-1-2-12-28-18/h1-5,8-12,15,21H,6-7,13H2,(H,30,31)/t21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 4.5n/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 1


(Homo sapiens (Human))
BDBM210666
PNG
(US9290451, 332)
Show SMILES Fc1ccc(Cc2nc(ccc2C2CC2)C(=O)N[C@@H](c2ccccn2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C23H19F4N3O/c24-16-8-4-14(5-9-16)13-20-17(15-6-7-15)10-11-19(29-20)22(31)30-21(23(25,26)27)18-3-1-2-12-28-18/h1-5,8-12,15,21H,6-7,13H2,(H,30,31)/t21-/m0/s1
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 91n/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