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BDBM260097 US9522886, 45

SMILES: COC(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1

InChI Key: InChIKey=UFJIURKENRZQJI-UHFFFAOYSA-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 = 260097   
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))
BDBM260097
PNG
(US9522886, 45)
Show SMILES COC(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C26H37N3O6/c1-25(2,3)35-24(32)29-13-11-26(12-14-29,15-21(30)33-4)28-22(31)20-10-9-19(18-7-8-18)23(27-20)34-16-17-5-6-17/h9-10,17-18H,5-8,11-16H2,1-4H3,(H,28,31)
PDB

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UniProtKB/TrEMBL

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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 US9522886 (2016)


BindingDB Entry DOI: 10.7270/Q28W3C7W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM260097
PNG
(US9522886, 45)
Show SMILES COC(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C26H37N3O6/c1-25(2,3)35-24(32)29-13-11-26(12-14-29,15-21(30)33-4)28-22(31)20-10-9-19(18-7-8-18)23(27-20)34-16-17-5-6-17/h9-10,17-18H,5-8,11-16H2,1-4H3,(H,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 237n/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)


BindingDB Entry DOI: 10.7270/Q28W3C7W
More data for this
Ligand-Target Pair