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BDBM50008022 (4-Methoxy-phenyl)-(3-morpholin-4-ylmethyl-2,3-dihydro-1H-3a-aza-cyclopenta[a]inden-8-yl)-methanone::(4-methoxyphenyl)(3-morpholinomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-9-yl)methanone::CHEMBL28045

SMILES: COc1ccc(cc1)C(=O)c1c2CCC(CN3CCOCC3)n2c2ccccc12

InChI Key: InChIKey=RRIKXSCKZOBQCX-UHFFFAOYSA-N

Data: 2 IC50

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 = 50008022   
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


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50008022
PNG
((4-Methoxy-phenyl)-(3-morpholin-4-ylmethyl-2,3-dih...)
Show SMILES COc1ccc(cc1)C(=O)c1c2CCC(CN3CCOCC3)n2c2ccccc12
Show InChI InChI=1S/C24H26N2O3/c1-28-19-9-6-17(7-10-19)24(27)23-20-4-2-3-5-21(20)26-18(8-11-22(23)26)16-25-12-14-29-15-13-25/h2-7,9-10,18H,8,11-16H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.05E+3n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of 0.5 nM [3H](aminoalkyl)indole binding to cannabinoid receptor in rat cerebellum membranes


J Med Chem 35: 124-35 (1992)


BindingDB Entry DOI: 10.7270/Q2SF2ZDZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50008022
PNG
((4-Methoxy-phenyl)-(3-morpholin-4-ylmethyl-2,3-dih...)
Show SMILES COc1ccc(cc1)C(=O)c1c2CCC(CN3CCOCC3)n2c2ccccc12
Show InChI InChI=1S/C24H26N2O3/c1-28-19-9-6-17(7-10-19)24(27)23-20-4-2-3-5-21(20)26-18(8-11-22(23)26)16-25-12-14-29-15-13-25/h2-7,9-10,18H,8,11-16H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.320n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor (unknown origin)


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
BindingDB Entry DOI: 10.7270/Q2G73DGR
More data for this
Ligand-Target Pair