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BDBM260139 US9522886, 87

SMILES: NC(=O)CC1(CCOC1)NC(=O)c1ccc(C2CC2)c(Oc2ccc(F)cc2)n1

InChI Key: InChIKey=WGPSUDKSIIRCJL-UHFFFAOYNA-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 = 260139   
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))
BDBM260139
PNG
(US9522886, 87)
Show SMILES NC(=O)CC1(CCOC1)NC(=O)c1ccc(C2CC2)c(Oc2ccc(F)cc2)n1
Show InChI InChI=1/C21H22FN3O4/c22-14-3-5-15(6-4-14)29-20-16(13-1-2-13)7-8-17(24-20)19(27)25-21(11-18(23)26)9-10-28-12-21/h3-8,13H,1-2,9-12H2,(H2,23,26)(H,25,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 34.8n/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 US9522886 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM260139
PNG
(US9522886, 87)
Show SMILES NC(=O)CC1(CCOC1)NC(=O)c1ccc(C2CC2)c(Oc2ccc(F)cc2)n1
Show InChI InChI=1/C21H22FN3O4/c22-14-3-5-15(6-4-14)29-20-16(13-1-2-13)7-8-17(24-20)19(27)25-21(11-18(23)26)9-10-28-12-21/h3-8,13H,1-2,9-12H2,(H2,23,26)(H,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.300n/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 US9522886 (2016)

More data for this
Ligand-Target Pair