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BDBM210507 US9290451, 219

SMILES: Cc1nc(no1)C(NC(=O)c1ccc(C2CC2)c(OCC2CCOCC2)n1)C1CC1

InChI Key: InChIKey=OTSOYXPPWPAFFH-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 = 210507   
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))
BDBM210507
PNG
(US9290451, 219)
Show SMILES Cc1nc(no1)C(NC(=O)c1ccc(C2CC2)c(OCC2CCOCC2)n1)C1CC1
Show InChI InChI=1S/C22H28N4O4/c1-13-23-20(26-30-13)19(16-4-5-16)25-21(27)18-7-6-17(15-2-3-15)22(24-18)29-12-14-8-10-28-11-9-14/h6-7,14-16,19H,2-5,8-12H2,1H3,(H,25,27)
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.14E+3n/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))
BDBM210507
PNG
(US9290451, 219)
Show SMILES Cc1nc(no1)C(NC(=O)c1ccc(C2CC2)c(OCC2CCOCC2)n1)C1CC1
Show InChI InChI=1S/C22H28N4O4/c1-13-23-20(26-30-13)19(16-4-5-16)25-21(27)18-7-6-17(15-2-3-15)22(24-18)29-12-14-8-10-28-11-9-14/h6-7,14-16,19H,2-5,8-12H2,1H3,(H,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 10.8n/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 US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair