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SMILES: O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2cccn2)c2ccccc12

InChI Key: InChIKey=HLYAIGAXCZJANZ-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 = 50424460   
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))
BDBM50424460
PNG
(CHEMBL2316410)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2cccn2)c2ccccc12
Show InChI InChI=1S/C26H25N5O2/c32-25(30-23-10-4-13-27-24(23)26(33)28-16-18-6-3-7-18)22-12-11-19(17-31-15-5-14-29-31)20-8-1-2-9-21(20)22/h1-2,4-5,8-15,18H,3,6-7,16-17H2,(H,28,33)(H,30,32)
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n/an/an/an/a 23n/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))
BDBM50424460
PNG
(CHEMBL2316410)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2cccn2)c2ccccc12
Show InChI InChI=1S/C26H25N5O2/c32-25(30-23-10-4-13-27-24(23)26(33)28-16-18-6-3-7-18)22-12-11-19(17-31-15-5-14-29-31)20-8-1-2-9-21(20)22/h1-2,4-5,8-15,18H,3,6-7,16-17H2,(H,28,33)(H,30,32)
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PubMed
n/an/a 1.30E+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))
BDBM50424460
PNG
(CHEMBL2316410)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2cccn2)c2ccccc12
Show InChI InChI=1S/C26H25N5O2/c32-25(30-23-10-4-13-27-24(23)26(33)28-16-18-6-3-7-18)22-12-11-19(17-31-15-5-14-29-31)20-8-1-2-9-21(20)22/h1-2,4-5,8-15,18H,3,6-7,16-17H2,(H,28,33)(H,30,32)
PDB

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n/an/a 69n/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