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SMILES: FC(F)(F)[C@@H](NC(=O)c1cc(OCC2CC2)c(Cl)cn1)c1cccnc1

InChI Key: InChIKey=XLJBXAXREZCRAO-HNNXBMFYSA-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 = 240307   
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))
BDBM240307
PNG
(US9409866, 22)
Show SMILES FC(F)(F)[C@@H](NC(=O)c1cc(OCC2CC2)c(Cl)cn1)c1cccnc1 |r|
Show InChI InChI=1S/C17H15ClF3N3O2/c18-12-8-23-13(6-14(12)26-9-10-3-4-10)16(25)24-15(17(19,20)21)11-2-1-5-22-7-11/h1-2,5-8,10,15H,3-4,9H2,(H,24,25)/t15-/m0/s1
PDB

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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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240307
PNG
(US9409866, 22)
Show SMILES FC(F)(F)[C@@H](NC(=O)c1cc(OCC2CC2)c(Cl)cn1)c1cccnc1 |r|
Show InChI InChI=1S/C17H15ClF3N3O2/c18-12-8-23-13(6-14(12)26-9-10-3-4-10)16(25)24-15(17(19,20)21)11-2-1-5-22-7-11/h1-2,5-8,10,15H,3-4,9H2,(H,24,25)/t15-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.70n/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 US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair