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SMILES: OC(=O)Cc1cnc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)s1

InChI Key: InChIKey=AJQHJXOFVJLPKL-UHFFFAOYSA-N

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 6 hits for monomerid = 50382744   
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))
BDBM50382744
PNG
(CHEMBL2023582)
Show SMILES OC(=O)Cc1cnc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)s1
Show InChI InChI=1S/C24H31N3O4S/c28-21(29)13-18-14-25-24(32-18)26-22(30)19-12-17-10-6-1-2-7-11-20(17)27(23(19)31)15-16-8-4-3-5-9-16/h12,14,16H,1-11,13,15H2,(H,28,29)(H,25,26,30)
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4.60n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor membrane fractions


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50382744
PNG
(CHEMBL2023582)
Show SMILES OC(=O)Cc1cnc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)s1
Show InChI InChI=1S/C24H31N3O4S/c28-21(29)13-18-14-25-24(32-18)26-22(30)19-12-17-10-6-1-2-7-11-20(17)27(23(19)31)15-16-8-4-3-5-9-16/h12,14,16H,1-11,13,15H2,(H,28,29)(H,25,26,30)
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4.60n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50382744
PNG
(CHEMBL2023582)
Show SMILES OC(=O)Cc1cnc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)s1
Show InChI InChI=1S/C24H31N3O4S/c28-21(29)13-18-14-25-24(32-18)26-22(30)19-12-17-10-6-1-2-7-11-20(17)27(23(19)31)15-16-8-4-3-5-9-16/h12,14,16H,1-11,13,15H2,(H,28,29)(H,25,26,30)
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4.60n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50382744
PNG
(CHEMBL2023582)
Show SMILES OC(=O)Cc1cnc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)s1
Show InChI InChI=1S/C24H31N3O4S/c28-21(29)13-18-14-25-24(32-18)26-22(30)19-12-17-10-6-1-2-7-11-20(17)27(23(19)31)15-16-8-4-3-5-9-16/h12,14,16H,1-11,13,15H2,(H,28,29)(H,25,26,30)
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235n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor membrane fractions


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50382744
PNG
(CHEMBL2023582)
Show SMILES OC(=O)Cc1cnc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)s1
Show InChI InChI=1S/C24H31N3O4S/c28-21(29)13-18-14-25-24(32-18)26-22(30)19-12-17-10-6-1-2-7-11-20(17)27(23(19)31)15-16-8-4-3-5-9-16/h12,14,16H,1-11,13,15H2,(H,28,29)(H,25,26,30)
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Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as increase in forskolin-induced cAMP levels after 20 mins


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50382744
PNG
(CHEMBL2023582)
Show SMILES OC(=O)Cc1cnc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)s1
Show InChI InChI=1S/C24H31N3O4S/c28-21(29)13-18-14-25-24(32-18)26-22(30)19-12-17-10-6-1-2-7-11-20(17)27(23(19)31)15-16-8-4-3-5-9-16/h12,14,16H,1-11,13,15H2,(H,28,29)(H,25,26,30)
PDB

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Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as increase in forskolin-induced cAMP levels after 20 mins


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair