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SMILES: Cc1nc(no1)C(C)(C)NC(=O)c1ccc(N2CCC(=O)C2)c(OCC2CC2)n1

InChI Key: InChIKey=JKPAUXYIFSKSGG-UHFFFAOYSA-N

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 = 210669   
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))
BDBM210669
PNG
(US9290451, 334)
Show SMILES Cc1nc(no1)C(C)(C)NC(=O)c1ccc(N2CCC(=O)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C20H25N5O4/c1-12-21-19(24-29-12)20(2,3)23-17(27)15-6-7-16(25-9-8-14(26)10-25)18(22-15)28-11-13-4-5-13/h6-7,13H,4-5,8-11H2,1-3H3,(H,23,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 108n/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 1


(Homo sapiens (Human))
BDBM210669
PNG
(US9290451, 334)
Show SMILES Cc1nc(no1)C(C)(C)NC(=O)c1ccc(N2CCC(=O)C2)c(OCC2CC2)n1
Show InChI InChI=1S/C20H25N5O4/c1-12-21-19(24-29-12)20(2,3)23-17(27)15-6-7-16(25-9-8-14(26)10-25)18(22-15)28-11-13-4-5-13/h6-7,13H,4-5,8-11H2,1-3H3,(H,23,27)
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>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