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BDBM240073 US9403808, 84

SMILES: NC(=O)CC1(COC1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1

InChI Key: InChIKey=PAFJPORWOFBSOG-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 = 240073   
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))
BDBM240073
PNG
(US9403808, 84)
Show SMILES NC(=O)CC1(COC1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C17H22N4O4/c18-13(22)5-17(8-24-9-17)21-15(23)12-6-19-14(11-3-4-11)16(20-12)25-7-10-1-2-10/h6,10-11H,1-5,7-9H2,(H2,18,22)(H,21,23)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
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 US9403808 (2016)


BindingDB Entry DOI: 10.7270/Q2V69HHS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240073
PNG
(US9403808, 84)
Show SMILES NC(=O)CC1(COC1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1
Show InChI InChI=1S/C17H22N4O4/c18-13(22)5-17(8-24-9-17)21-15(23)12-6-19-14(11-3-4-11)16(20-12)25-7-10-1-2-10/h6,10-11H,1-5,7-9H2,(H2,18,22)(H,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 14.6n/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 US9403808 (2016)


BindingDB Entry DOI: 10.7270/Q2V69HHS
More data for this
Ligand-Target Pair