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BDBM50381879 CHEMBL2022699

SMILES: O=C(NC1CCCCCC1)c1cccn(CCN2CCOCC2)c1=O

InChI Key: InChIKey=GGGNHVNLXDRYCH-UHFFFAOYSA-N

Data: 2 KI

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 = 50381879   
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))
BDBM50381879
PNG
(CHEMBL2022699)
Show SMILES O=C(NC1CCCCCC1)c1cccn(CCN2CCOCC2)c1=O
Show InChI InChI=1S/C19H29N3O3/c23-18(20-16-6-3-1-2-4-7-16)17-8-5-9-22(19(17)24)11-10-21-12-14-25-15-13-21/h5,8-9,16H,1-4,6-7,10-15H2,(H,20,23)
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
790n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in human HEK293 cell membrane after 90 mins


Eur J Med Chem 52: 284-94 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.031
BindingDB Entry DOI: 10.7270/Q2PK0H6K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50381879
PNG
(CHEMBL2022699)
Show SMILES O=C(NC1CCCCCC1)c1cccn(CCN2CCOCC2)c1=O
Show InChI InChI=1S/C19H29N3O3/c23-18(20-16-6-3-1-2-4-7-16)17-8-5-9-22(19(17)24)11-10-21-12-14-25-15-13-21/h5,8-9,16H,1-4,6-7,10-15H2,(H,20,23)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
950n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in human HEK293 cell membrane after 90 mins


Eur J Med Chem 52: 284-94 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.031
BindingDB Entry DOI: 10.7270/Q2PK0H6K
More data for this
Ligand-Target Pair