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BDBM50335949 (7-(phenoxymethyl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone::CHEMBL1668396

SMILES: CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(COc4ccccc4)cccc23)C1(C)C

InChI Key: InChIKey=LEVWTKNVOKUUQN-UHFFFAOYSA-N

Data: 2 KI

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 = 50335949   
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))
BDBM50335949
PNG
((7-(phenoxymethyl)-1-((tetrahydro-2H-pyran-4-yl)me...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(COc4ccccc4)cccc23)C1(C)C
Show InChI InChI=1S/C29H35NO3/c1-28(2)27(29(28,3)4)26(31)24-18-30(17-20-13-15-32-16-14-20)25-21(9-8-12-23(24)25)19-33-22-10-6-5-7-11-22/h5-12,18,20,27H,13-17,19H2,1-4H3
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50335949
PNG
((7-(phenoxymethyl)-1-((tetrahydro-2H-pyran-4-yl)me...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(COc4ccccc4)cccc23)C1(C)C
Show InChI InChI=1S/C29H35NO3/c1-28(2)27(29(28,3)4)26(31)24-18-30(17-20-13-15-32-16-14-20)25-21(9-8-12-23(24)25)19-33-22-10-6-5-7-11-22/h5-12,18,20,27H,13-17,19H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
28n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB1 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair