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BDBM295694 Example 46 in WO2010147792::US10570125, Example 46

SMILES: COCC(C)(C)c1cc(NC(=O)C(C)(C)N(C)CC2CCOCC2)on1

InChI Key: InChIKey=FTTMRXSESRGDGE-UHFFFAOYSA-N

Data: 4 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 295694   
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))
BDBM295694
PNG
(Example 46 in WO2010147792 | US10570125, Example 4...)
Show SMILES COCC(C)(C)c1cc(NC(=O)C(C)(C)N(C)CC2CCOCC2)on1
Show InChI InChI=1S/C19H33N3O4/c1-18(2,13-24-6)15-11-16(26-21-15)20-17(23)19(3,4)22(5)12-14-7-9-25-10-8-14/h11,14H,7-10,12-13H2,1-6H3,(H,20,23)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.270n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37° C. A...


US Patent US10112934 (2018)


BindingDB Entry DOI: 10.7270/Q2F191RP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM295694
PNG
(Example 46 in WO2010147792 | US10570125, Example 4...)
Show SMILES COCC(C)(C)c1cc(NC(=O)C(C)(C)N(C)CC2CCOCC2)on1
Show InChI InChI=1S/C19H33N3O4/c1-18(2,13-24-6)15-11-16(26-21-15)20-17(23)19(3,4)22(5)12-14-7-9-25-10-8-14/h11,14H,7-10,12-13H2,1-6H3,(H,20,23)
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 923n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CB1: CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37°...


US Patent US10570125 (2020)


BindingDB Entry DOI: 10.7270/Q21C209H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM295694
PNG
(Example 46 in WO2010147792 | US10570125, Example 4...)
Show SMILES COCC(C)(C)c1cc(NC(=O)C(C)(C)N(C)CC2CCOCC2)on1
Show InChI InChI=1S/C19H33N3O4/c1-18(2,13-24-6)15-11-16(26-21-15)20-17(23)19(3,4)22(5)12-14-7-9-25-10-8-14/h11,14H,7-10,12-13H2,1-6H3,(H,20,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.270n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CB2: CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37°...


US Patent US10570125 (2020)


BindingDB Entry DOI: 10.7270/Q21C209H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM295694
PNG
(Example 46 in WO2010147792 | US10570125, Example 4...)
Show SMILES COCC(C)(C)c1cc(NC(=O)C(C)(C)N(C)CC2CCOCC2)on1
Show InChI InChI=1S/C19H33N3O4/c1-18(2,13-24-6)15-11-16(26-21-15)20-17(23)19(3,4)22(5)12-14-7-9-25-10-8-14/h11,14H,7-10,12-13H2,1-6H3,(H,20,23)
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 923n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37° C. A...


US Patent US10112934 (2018)


BindingDB Entry DOI: 10.7270/Q2F191RP
More data for this
Ligand-Target Pair