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BDBM50381887 CHEMBL2022362

SMILES: O=C(NC1CCCCC1)c1cc2ccccc2n(CCN2CCOCC2)c1=O

InChI Key: InChIKey=FNALEXLCSSYSEC-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 = 50381887   
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))
BDBM50381887
PNG
(CHEMBL2022362)
Show SMILES O=C(NC1CCCCC1)c1cc2ccccc2n(CCN2CCOCC2)c1=O
Show InChI InChI=1S/C22H29N3O3/c26-21(23-18-7-2-1-3-8-18)19-16-17-6-4-5-9-20(17)25(22(19)27)11-10-24-12-14-28-15-13-24/h4-6,9,16,18H,1-3,7-8,10-15H2,(H,23,26)
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
9n/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))
BDBM50381887
PNG
(CHEMBL2022362)
Show SMILES O=C(NC1CCCCC1)c1cc2ccccc2n(CCN2CCOCC2)c1=O
Show InChI InChI=1S/C22H29N3O3/c26-21(23-18-7-2-1-3-8-18)19-16-17-6-4-5-9-20(17)25(22(19)27)11-10-24-12-14-28-15-13-24/h4-6,9,16,18H,1-3,7-8,10-15H2,(H,23,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
300n/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