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SMILES: CC1(C)C(C(=O)c2cn(CCN3CCCCCC3)c3ccccc23)C1(C)C

InChI Key: InChIKey=LVQLXZWACOKCSL-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50303565   
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))
BDBM50303565
PNG
((1-(2-(Azepan-1-yl)ethyl)-1H-indol-3-yl)(2,2,3,3-t...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCCCCC3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C24H34N2O/c1-23(2)22(24(23,3)4)21(27)19-17-26(20-12-8-7-11-18(19)20)16-15-25-13-9-5-6-10-14-25/h7-8,11-12,17,22H,5-6,9-10,13-16H2,1-4H3
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PC sid
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Article
PubMed
26n/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))
BDBM50303565
PNG
((1-(2-(Azepan-1-yl)ethyl)-1H-indol-3-yl)(2,2,3,3-t...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCCCCC3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C24H34N2O/c1-23(2)22(24(23,3)4)21(27)19-17-26(20-12-8-7-11-18(19)20)16-15-25-13-9-5-6-10-14-25/h7-8,11-12,17,22H,5-6,9-10,13-16H2,1-4H3
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Article
PubMed
790n/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))
BDBM50303565
PNG
((1-(2-(Azepan-1-yl)ethyl)-1H-indol-3-yl)(2,2,3,3-t...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCCCCC3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C24H34N2O/c1-23(2)22(24(23,3)4)21(27)19-17-26(20-12-8-7-11-18(19)20)16-15-25-13-9-5-6-10-14-25/h7-8,11-12,17,22H,5-6,9-10,13-16H2,1-4H3
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Article
PubMed
n/an/an/an/a 1.02E+3n/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