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BDBM50302295 CHEMBL570792::N-(5-ethyl-4-(morpholinomethyl)pyridin-2-yl)-2,2-dimethylbutanamide

SMILES: CCc1cnc(NC(=O)C(C)(C)CC)cc1CN1CCOCC1

InChI Key: InChIKey=YUXHSFFVUBPHAA-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50302295   
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))
BDBM50302295
PNG
(CHEMBL570792 | N-(5-ethyl-4-(morpholinomethyl)pyri...)
Show SMILES CCc1cnc(NC(=O)C(C)(C)CC)cc1CN1CCOCC1
Show InChI InChI=1S/C18H29N3O2/c1-5-14-12-19-16(20-17(22)18(3,4)6-2)11-15(14)13-21-7-9-23-10-8-21/h11-12H,5-10,13H2,1-4H3,(H,19,20,22)
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PC cid
PC sid
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Article
PubMed
7.90n/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 1


(Homo sapiens (Human))
BDBM50302295
PNG
(CHEMBL570792 | N-(5-ethyl-4-(morpholinomethyl)pyri...)
Show SMILES CCc1cnc(NC(=O)C(C)(C)CC)cc1CN1CCOCC1
Show InChI InChI=1S/C18H29N3O2/c1-5-14-12-19-16(20-17(22)18(3,4)6-2)11-15(14)13-21-7-9-23-10-8-21/h11-12H,5-10,13H2,1-4H3,(H,19,20,22)
PDB

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Article
PubMed
4.30E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55960 from human cloned CB1 receptor after 120 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))
BDBM50302295
PNG
(CHEMBL570792 | N-(5-ethyl-4-(morpholinomethyl)pyri...)
Show SMILES CCc1cnc(NC(=O)C(C)(C)CC)cc1CN1CCOCC1
Show InChI InChI=1S/C18H29N3O2/c1-5-14-12-19-16(20-17(22)18(3,4)6-2)11-15(14)13-21-7-9-23-10-8-21/h11-12H,5-10,13H2,1-4H3,(H,19,20,22)
KEGG

UniProtKB/SwissProt
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9.60n/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