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SMILES: OCCOc1ccc(NC(=O)c2ccnc3ccccc23)c(n1)C(=O)NCC1CCC1

InChI Key: InChIKey=GYVSQNBUFKWWPG-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50424458   
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))
BDBM50424458
PNG
(CHEMBL2316388)
Show SMILES OCCOc1ccc(NC(=O)c2ccnc3ccccc23)c(n1)C(=O)NCC1CCC1
Show InChI InChI=1S/C23H24N4O4/c28-12-13-31-20-9-8-19(21(27-20)23(30)25-14-15-4-3-5-15)26-22(29)17-10-11-24-18-7-2-1-6-16(17)18/h1-2,6-11,15,28H,3-5,12-14H2,(H,25,30)(H,26,29)
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n/an/an/an/a 120n/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))
BDBM50424458
PNG
(CHEMBL2316388)
Show SMILES OCCOc1ccc(NC(=O)c2ccnc3ccccc23)c(n1)C(=O)NCC1CCC1
Show InChI InChI=1S/C23H24N4O4/c28-12-13-31-20-9-8-19(21(27-20)23(30)25-14-15-4-3-5-15)26-22(29)17-10-11-24-18-7-2-1-6-16(17)18/h1-2,6-11,15,28H,3-5,12-14H2,(H,25,30)(H,26,29)
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n/an/a 7.30E+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))
BDBM50424458
PNG
(CHEMBL2316388)
Show SMILES OCCOc1ccc(NC(=O)c2ccnc3ccccc23)c(n1)C(=O)NCC1CCC1
Show InChI InChI=1S/C23H24N4O4/c28-12-13-31-20-9-8-19(21(27-20)23(30)25-14-15-4-3-5-15)26-22(29)17-10-11-24-18-7-2-1-6-16(17)18/h1-2,6-11,15,28H,3-5,12-14H2,(H,25,30)(H,26,29)
PDB

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n/an/a 2.50E+3n/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