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SMILES: CN(C)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCC2)c2ccccc12

InChI Key: InChIKey=HIQCZDGSCMKKFM-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 3 hits for monomerid = 50424463   
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 1


(Homo sapiens (Human))
BDBM50424463
PNG
(CHEMBL2316407)
Show SMILES CN(C)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C25H28N4O2/c1-29(2)16-18-12-13-21(20-10-4-3-9-19(18)20)24(30)28-22-11-6-14-26-23(22)25(31)27-15-17-7-5-8-17/h3-4,6,9-14,17H,5,7-8,15-16H2,1-2H3,(H,27,31)(H,28,30)
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n/an/an/an/a 180n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
BindingDB Entry DOI: 10.7270/Q2057H7B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424463
PNG
(CHEMBL2316407)
Show SMILES CN(C)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C25H28N4O2/c1-29(2)16-18-12-13-21(20-10-4-3-9-19(18)20)24(30)28-22-11-6-14-26-23(22)25(31)27-15-17-7-5-8-17/h3-4,6,9-14,17H,5,7-8,15-16H2,1-2H3,(H,27,31)(H,28,30)
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n/an/a 4.10E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
BindingDB Entry DOI: 10.7270/Q2057H7B
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424463
PNG
(CHEMBL2316407)
Show SMILES CN(C)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C25H28N4O2/c1-29(2)16-18-12-13-21(20-10-4-3-9-19(18)20)24(30)28-22-11-6-14-26-23(22)25(31)27-15-17-7-5-8-17/h3-4,6,9-14,17H,5,7-8,15-16H2,1-2H3,(H,27,31)(H,28,30)
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n/an/a 190n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
BindingDB Entry DOI: 10.7270/Q2057H7B
More data for this
Ligand-Target Pair