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

InChI Key: InChIKey=VRPKZOYEHQAUJH-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50334021   
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))
BDBM50334021
PNG
(4,4-difluoro-1-(3-(4-(3-(trifluoromethyl)phenyl)-1...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccc(CN2CCC(F)(F)CC2)c1
Show InChI InChI=1S/C22H20F5N3/c23-21(24)7-9-30(10-8-21)14-15-3-1-5-17(11-15)20-28-13-19(29-20)16-4-2-6-18(12-16)22(25,26)27/h1-6,11-13H,7-10,14H2,(H,28,29)
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PC cid
PC sid
UniChem

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))
BDBM50334021
PNG
(4,4-difluoro-1-(3-(4-(3-(trifluoromethyl)phenyl)-1...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccc(CN2CCC(F)(F)CC2)c1
Show InChI InChI=1S/C22H20F5N3/c23-21(24)7-9-30(10-8-21)14-15-3-1-5-17(11-15)20-28-13-19(29-20)16-4-2-6-18(12-16)22(25,26)27/h1-6,11-13H,7-10,14H2,(H,28,29)
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.55E+3n/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