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BDBM50303576 CHEMBL583473::[1-(2-Morpholin-4-ylethyl)-1H-indol-3-yl](3-noradamantane)-methanone

SMILES: O=C(c1cn(CCN2CCOCC2)c2ccccc12)C12CC3CC1CC(C2)C3

InChI Key: InChIKey=FLEORYUEILNRHW-UHFFFAOYSA-N

Data: 2 KI  1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50303576   
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))
BDBM50303576
PNG
(CHEMBL583473 | [1-(2-Morpholin-4-ylethyl)-1H-indol...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2ccccc12)C12CC3CC1CC(C2)C3 |TLB:22:21:26:23.24,22:23:20.21.27:26|
Show InChI InChI=1S/C24H30N2O2/c27-23(24-14-17-11-18(15-24)13-19(24)12-17)21-16-26(22-4-2-1-3-20(21)22)6-5-25-7-9-28-10-8-25/h1-4,16-19H,5-15H2
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PC cid
PC sid
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Article
PubMed
22n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 53: 295-315 (2010)


Article DOI: 10.1021/jm901214q
BindingDB Entry DOI: 10.7270/Q2KD1Z00
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50303576
PNG
(CHEMBL583473 | [1-(2-Morpholin-4-ylethyl)-1H-indol...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2ccccc12)C12CC3CC1CC(C2)C3 |TLB:22:21:26:23.24,22:23:20.21.27:26|
Show InChI InChI=1S/C24H30N2O2/c27-23(24-14-17-11-18(15-24)13-19(24)12-17)21-16-26(22-4-2-1-3-20(21)22)6-5-25-7-9-28-10-8-25/h1-4,16-19H,5-15H2
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells


J Med Chem 53: 295-315 (2010)


Article DOI: 10.1021/jm901214q
BindingDB Entry DOI: 10.7270/Q2KD1Z00
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50303576
PNG
(CHEMBL583473 | [1-(2-Morpholin-4-ylethyl)-1H-indol...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2ccccc12)C12CC3CC1CC(C2)C3 |TLB:22:21:26:23.24,22:23:20.21.27:26|
Show InChI InChI=1S/C24H30N2O2/c27-23(24-14-17-11-18(15-24)13-19(24)12-17)21-16-26(22-4-2-1-3-20(21)22)6-5-25-7-9-28-10-8-25/h1-4,16-19H,5-15H2
PDB

Reactome pathway
KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 68n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells coexpressing Galphaq/o5 assessed as calcium mobilization by FLIPR assay


J Med Chem 53: 295-315 (2010)


Article DOI: 10.1021/jm901214q
BindingDB Entry DOI: 10.7270/Q2KD1Z00
More data for this
Ligand-Target Pair