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BDBM210470 US9290451, 185

SMILES: CNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1

InChI Key: InChIKey=NLSYUGWDLJLVGG-PKHIMPSTSA-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 = 210470   
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))
BDBM210470
PNG
(US9290451, 185)
Show SMILES CNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1 |r|
Show InChI InChI=1S/C22H33N3O4/c1-22(2,3)12-18(19(26)23-4)24-20(27)17-10-9-16(14-7-8-14)21(25-17)29-13-15-6-5-11-28-15/h9-10,14-15,18H,5-8,11-13H2,1-4H3,(H,23,26)(H,24,27)/t15?,18-/m0/s1
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>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 US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM210470
PNG
(US9290451, 185)
Show SMILES CNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1 |r|
Show InChI InChI=1S/C22H33N3O4/c1-22(2,3)12-18(19(26)23-4)24-20(27)17-10-9-16(14-7-8-14)21(25-17)29-13-15-6-5-11-28-15/h9-10,14-15,18H,5-8,11-13H2,1-4H3,(H,23,26)(H,24,27)/t15?,18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 7.5n/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