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BDBM210699 US9290451, 348

SMILES: Cc1nc(no1)[C@H](CC1CC1)NC(=O)c1cccc(n1)-c1ccc(F)c(c1)C(F)(F)F

InChI Key: InChIKey=KQIHEVJPDJPBJV-SFHVURJKSA-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 = 210699   
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))
BDBM210699
PNG
(US9290451, 348)
Show SMILES Cc1nc(no1)[C@H](CC1CC1)NC(=O)c1cccc(n1)-c1ccc(F)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H18F4N4O2/c1-11-26-19(29-31-11)18(9-12-5-6-12)28-20(30)17-4-2-3-16(27-17)13-7-8-15(22)14(10-13)21(23,24)25/h2-4,7-8,10,12,18H,5-6,9H2,1H3,(H,28,30)/t18-/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 24.6n/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))
BDBM210699
PNG
(US9290451, 348)
Show SMILES Cc1nc(no1)[C@H](CC1CC1)NC(=O)c1cccc(n1)-c1ccc(F)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H18F4N4O2/c1-11-26-19(29-31-11)18(9-12-5-6-12)28-20(30)17-4-2-3-16(27-17)13-7-8-15(22)14(10-13)21(23,24)25/h2-4,7-8,10,12,18H,5-6,9H2,1H3,(H,28,30)/t18-/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>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