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BDBM50303553 (1-((1,3-Dioxolan-2-yl)methyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone::CHEMBL570454

SMILES: CC1(C)C(C(=O)c2cn(CC3OCCO3)c3ccccc23)C1(C)C

InChI Key: InChIKey=OLJWQVYPTVQZJK-UHFFFAOYSA-N

Data: 2 KI  1 EC50

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 3 hits for monomerid = 50303553   
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))
BDBM50303553
PNG
((1-((1,3-Dioxolan-2-yl)methyl)-1H-indol-3-yl)(2,2,...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3OCCO3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C20H25NO3/c1-19(2)18(20(19,3)4)17(22)14-11-21(12-16-23-9-10-24-16)15-8-6-5-7-13(14)15/h5-8,11,16,18H,9-10,12H2,1-4H3
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PC cid
PC sid
UniChem
Article
PubMed
1n/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))
BDBM50303553
PNG
((1-((1,3-Dioxolan-2-yl)methyl)-1H-indol-3-yl)(2,2,...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3OCCO3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C20H25NO3/c1-19(2)18(20(19,3)4)17(22)14-11-21(12-16-23-9-10-24-16)15-8-6-5-7-13(14)15/h5-8,11,16,18H,9-10,12H2,1-4H3
PDB

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
280n/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))
BDBM50303553
PNG
((1-((1,3-Dioxolan-2-yl)methyl)-1H-indol-3-yl)(2,2,...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3OCCO3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C20H25NO3/c1-19(2)18(20(19,3)4)17(22)14-11-21(12-16-23-9-10-24-16)15-8-6-5-7-13(14)15/h5-8,11,16,18H,9-10,12H2,1-4H3
PDB

Reactome pathway
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 7n/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