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SMILES: Cc1nc(no1)[C@H](CC1CC1)NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1

InChI Key: InChIKey=PGKCLHMFUMHWFJ-QFIPXVFZSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 210659   
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))
BDBM210659
PNG
(US9290451, 327)
Show SMILES Cc1nc(no1)[C@H](CC1CC1)NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1 |r|
Show InChI InChI=1S/C24H25FN4O2/c1-14-26-23(29-31-14)22(13-15-2-3-15)28-24(30)20-11-10-19(17-6-7-17)21(27-20)12-16-4-8-18(25)9-5-16/h4-5,8-11,15,17,22H,2-3,6-7,12-13H2,1H3,(H,28,30)/t22-/m0/s1
PDB

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KEGG

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 13.6n/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 2


(Homo sapiens (Human))
BDBM210659
PNG
(US9290451, 327)
Show SMILES Cc1nc(no1)[C@H](CC1CC1)NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1 |r|
Show InChI InChI=1S/C24H25FN4O2/c1-14-26-23(29-31-14)22(13-15-2-3-15)28-24(30)20-11-10-19(17-6-7-17)21(27-20)12-16-4-8-18(25)9-5-16/h4-5,8-11,15,17,22H,2-3,6-7,12-13H2,1H3,(H,28,30)/t22-/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 1.10n/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