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BDBM50302296 CHEMBL568157::N-(5-cyano-4-(morpholinomethyl)pyridin-2-yl)-2,2-dimethylbutanamide

SMILES: CCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(cn1)C#N

InChI Key: InChIKey=ZLNCKCGHGNMTJQ-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50302296   
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))
BDBM50302296
PNG
(CHEMBL568157 | N-(5-cyano-4-(morpholinomethyl)pyri...)
Show SMILES CCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(cn1)C#N
Show InChI InChI=1S/C17H24N4O2/c1-4-17(2,3)16(22)20-15-9-13(14(10-18)11-19-15)12-21-5-7-23-8-6-21/h9,11H,4-8,12H2,1-3H3,(H,19,20,22)
PDB

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PC cid
PC sid
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Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55960 from human cloned CB2 receptor after 60 mins by scintillation spectroscopy


Bioorg Med Chem Lett 19: 5931-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.063
BindingDB Entry DOI: 10.7270/Q2HQ4001
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50302296
PNG
(CHEMBL568157 | N-(5-cyano-4-(morpholinomethyl)pyri...)
Show SMILES CCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(cn1)C#N
Show InChI InChI=1S/C17H24N4O2/c1-4-17(2,3)16(22)20-15-9-13(14(10-18)11-19-15)12-21-5-7-23-8-6-21/h9,11H,4-8,12H2,1-3H3,(H,19,20,22)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 200n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at CB2 receptor in rat cerebellar membrane assessed as WIN 55212-2-stimulated [35S]GTPgammaS binding after 6 hrs by scintillation sp...


Bioorg Med Chem Lett 19: 5931-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.063
BindingDB Entry DOI: 10.7270/Q2HQ4001
More data for this
Ligand-Target Pair