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BDBM50334032 4,4-difluoro-1-(3-(4-(2-fluoro-5-methoxyphenyl)-1H-imidazol-2-yl)benzyl)piperidine::CHEMBL1644735

SMILES: COc1ccc(F)c(c1)-c1c[nH]c(n1)-c1cccc(CN2CCC(F)(F)CC2)c1

InChI Key: InChIKey=LLCQMLXZDRRZIF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50334032   
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))
BDBM50334032
PNG
(4,4-difluoro-1-(3-(4-(2-fluoro-5-methoxyphenyl)-1H...)
Show SMILES COc1ccc(F)c(c1)-c1c[nH]c(n1)-c1cccc(CN2CCC(F)(F)CC2)c1
Show InChI InChI=1S/C22H22F3N3O/c1-29-17-5-6-19(23)18(12-17)20-13-26-21(27-20)16-4-2-3-15(11-16)14-28-9-7-22(24,25)8-10-28/h2-6,11-13H,7-10,14H2,1H3,(H,26,27)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
BindingDB Entry DOI: 10.7270/Q20P108G
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334032
PNG
(4,4-difluoro-1-(3-(4-(2-fluoro-5-methoxyphenyl)-1H...)
Show SMILES COc1ccc(F)c(c1)-c1c[nH]c(n1)-c1cccc(CN2CCC(F)(F)CC2)c1
Show InChI InChI=1S/C22H22F3N3O/c1-29-17-5-6-19(23)18(12-17)20-13-26-21(27-20)16-4-2-3-15(11-16)14-28-9-7-22(24,25)8-10-28/h2-6,11-13H,7-10,14H2,1H3,(H,26,27)
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 25n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 21: 182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.044
BindingDB Entry DOI: 10.7270/Q20P108G
More data for this
Ligand-Target Pair