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BDBM50448271 CHEMBL2414028

SMILES: CCCCCOc1ccccc1-c1cc(no1)C(=O)NC1C2CC3CC(C2)CC1C3

InChI Key: InChIKey=TUCWNLRRBGGNRB-UHFFFAOYSA-N

Data: 2 KI  1 IC50  1 EC50

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 4 hits for monomerid = 50448271   
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))
BDBM50448271
PNG
(CHEMBL2414028)
Show SMILES CCCCCOc1ccccc1-c1cc(no1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:19:20:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.29:20,27:25:22:29.28.20,27:28:22:26.24.25,(14.78,-14.02,;15.56,-12.7,;14.81,-11.36,;15.59,-10.04,;14.84,-8.7,;15.62,-7.38,;14.86,-6.04,;13.32,-6.03,;12.57,-4.67,;13.35,-3.35,;14.9,-3.37,;15.64,-4.72,;17.19,-4.74,;17.68,-3.28,;19.27,-3.33,;19.69,-4.77,;18.44,-5.67,;20.03,-1.98,;19.25,-.65,;21.58,-1.97,;22.84,-2.86,;22.85,-4.35,;21.65,-5.62,;23.15,-5.21,;24.57,-5.78,;25.57,-4.49,;24.17,-4.84,;25.59,-2.96,;24.18,-2.38,;23.14,-3.62,)|
Show InChI InChI=1S/C25H32N2O3/c1-2-3-6-9-29-22-8-5-4-7-20(22)23-15-21(27-30-23)25(28)26-24-18-11-16-10-17(13-18)14-19(24)12-16/h4-5,7-8,15-19,24H,2-3,6,9-14H2,1H3,(H,26,28)
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Article
PubMed
60n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in CHO membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 21: 5383-94 (2013)


Article DOI: 10.1016/j.bmc.2013.06.010
BindingDB Entry DOI: 10.7270/Q27S7RQW
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50448271
PNG
(CHEMBL2414028)
Show SMILES CCCCCOc1ccccc1-c1cc(no1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:19:20:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.29:20,27:25:22:29.28.20,27:28:22:26.24.25,(14.78,-14.02,;15.56,-12.7,;14.81,-11.36,;15.59,-10.04,;14.84,-8.7,;15.62,-7.38,;14.86,-6.04,;13.32,-6.03,;12.57,-4.67,;13.35,-3.35,;14.9,-3.37,;15.64,-4.72,;17.19,-4.74,;17.68,-3.28,;19.27,-3.33,;19.69,-4.77,;18.44,-5.67,;20.03,-1.98,;19.25,-.65,;21.58,-1.97,;22.84,-2.86,;22.85,-4.35,;21.65,-5.62,;23.15,-5.21,;24.57,-5.78,;25.57,-4.49,;24.17,-4.84,;25.59,-2.96,;24.18,-2.38,;23.14,-3.62,)|
Show InChI InChI=1S/C25H32N2O3/c1-2-3-6-9-29-22-8-5-4-7-20(22)23-15-21(27-30-23)25(28)26-24-18-11-16-10-17(13-18)14-19(24)12-16/h4-5,7-8,15-19,24H,2-3,6,9-14H2,1H3,(H,26,28)
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>3.00E+3n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 21: 5383-94 (2013)


Article DOI: 10.1016/j.bmc.2013.06.010
BindingDB Entry DOI: 10.7270/Q27S7RQW
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50448271
PNG
(CHEMBL2414028)
Show SMILES CCCCCOc1ccccc1-c1cc(no1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:19:20:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.29:20,27:25:22:29.28.20,27:28:22:26.24.25,(14.78,-14.02,;15.56,-12.7,;14.81,-11.36,;15.59,-10.04,;14.84,-8.7,;15.62,-7.38,;14.86,-6.04,;13.32,-6.03,;12.57,-4.67,;13.35,-3.35,;14.9,-3.37,;15.64,-4.72,;17.19,-4.74,;17.68,-3.28,;19.27,-3.33,;19.69,-4.77,;18.44,-5.67,;20.03,-1.98,;19.25,-.65,;21.58,-1.97,;22.84,-2.86,;22.85,-4.35,;21.65,-5.62,;23.15,-5.21,;24.57,-5.78,;25.57,-4.49,;24.17,-4.84,;25.59,-2.96,;24.18,-2.38,;23.14,-3.62,)|
Show InChI InChI=1S/C25H32N2O3/c1-2-3-6-9-29-22-8-5-4-7-20(22)23-15-21(27-30-23)25(28)26-24-18-11-16-10-17(13-18)14-19(24)12-16/h4-5,7-8,15-19,24H,2-3,6,9-14H2,1H3,(H,26,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in Escherichia coli assessed as hydrolysis of [3H]-AEA


Bioorg Med Chem Lett 24: 1322-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.056
BindingDB Entry DOI: 10.7270/Q2319XCD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50448271
PNG
(CHEMBL2414028)
Show SMILES CCCCCOc1ccccc1-c1cc(no1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:19:20:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.29:20,27:25:22:29.28.20,27:28:22:26.24.25,(14.78,-14.02,;15.56,-12.7,;14.81,-11.36,;15.59,-10.04,;14.84,-8.7,;15.62,-7.38,;14.86,-6.04,;13.32,-6.03,;12.57,-4.67,;13.35,-3.35,;14.9,-3.37,;15.64,-4.72,;17.19,-4.74,;17.68,-3.28,;19.27,-3.33,;19.69,-4.77,;18.44,-5.67,;20.03,-1.98,;19.25,-.65,;21.58,-1.97,;22.84,-2.86,;22.85,-4.35,;21.65,-5.62,;23.15,-5.21,;24.57,-5.78,;25.57,-4.49,;24.17,-4.84,;25.59,-2.96,;24.18,-2.38,;23.14,-3.62,)|
Show InChI InChI=1S/C25H32N2O3/c1-2-3-6-9-29-22-8-5-4-7-20(22)23-15-21(27-30-23)25(28)26-24-18-11-16-10-17(13-18)14-19(24)12-16/h4-5,7-8,15-19,24H,2-3,6,9-14H2,1H3,(H,26,28)
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PubMed
n/an/an/an/a 15n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO membranes assessed as [35S]-GTPgammaS binding after 1 hr


Bioorg Med Chem 21: 5383-94 (2013)


Article DOI: 10.1016/j.bmc.2013.06.010
BindingDB Entry DOI: 10.7270/Q27S7RQW
More data for this
Ligand-Target Pair