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BDBM50303570 (2-Oxatricyclo[3.3.1.13,7]dec-1-yl)-[1-(tetrahydropyran-4-ylmethyl)-1H-indol-3-yl]methanone::CHEMBL569992

SMILES: O=C(c1cn(CC2CCOCC2)c2ccccc12)C12CC3CC(CC(C3)O1)C2

InChI Key: InChIKey=OMGBHSJGIZWCCX-UHFFFAOYNA-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 = 50303570   
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))
BDBM50303570
PNG
((2-Oxatricyclo[3.3.1.13,7]dec-1-yl)-[1-(tetrahydro...)
Show SMILES O=C(c1cn(CC2CCOCC2)c2ccccc12)C12CC3CC(CC(C3)O1)C2
Show InChI InChI=1/C24H29NO3/c26-23(24-12-17-9-18(13-24)11-19(10-17)28-24)21-15-25(14-16-5-7-27-8-6-16)22-4-2-1-3-20(21)22/h1-4,15-19H,5-14H2
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
5.90n/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))
BDBM50303570
PNG
((2-Oxatricyclo[3.3.1.13,7]dec-1-yl)-[1-(tetrahydro...)
Show SMILES O=C(c1cn(CC2CCOCC2)c2ccccc12)C12CC3CC(CC(C3)O1)C2
Show InChI InChI=1/C24H29NO3/c26-23(24-12-17-9-18(13-24)11-19(10-17)28-24)21-15-25(14-16-5-7-27-8-6-16)22-4-2-1-3-20(21)22/h1-4,15-19H,5-14H2
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
538n/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))
BDBM50303570
PNG
((2-Oxatricyclo[3.3.1.13,7]dec-1-yl)-[1-(tetrahydro...)
Show SMILES O=C(c1cn(CC2CCOCC2)c2ccccc12)C12CC3CC(CC(C3)O1)C2
Show InChI InChI=1/C24H29NO3/c26-23(24-12-17-9-18(13-24)11-19(10-17)28-24)21-15-25(14-16-5-7-27-8-6-16)22-4-2-1-3-20(21)22/h1-4,15-19H,5-14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8n/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