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BDBM50082768 CHEMBL3422788

SMILES: CCCCCn1c2ccccc2cc(C(=O)NC2CCC(C)CC2)c1=O

InChI Key: InChIKey=VZKVXWUSSUGQGY-UHFFFAOYSA-N

Data: 2 KI  2 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 = 50082768   
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))
BDBM50082768
PNG
(CHEMBL3422788)
Show SMILES CCCCCn1c2ccccc2cc(C(=O)NC2CCC(C)CC2)c1=O |(4.01,-7.39,;4.01,-6.16,;2.67,-5.39,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;5.06,.93,;3.99,3.08,;5.33,3.86,;5.33,5.4,;6.66,6.17,;7.99,5.4,;9.06,6.01,;7.99,3.86,;6.66,3.09,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C22H30N2O2/c1-3-4-7-14-24-20-9-6-5-8-17(20)15-19(22(24)26)21(25)23-18-12-10-16(2)11-13-18/h5-6,8-9,15-16,18H,3-4,7,10-14H2,1-2H3,(H,23,25)
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1.5n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB2 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
BindingDB Entry DOI: 10.7270/Q2VQ34DS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50082768
PNG
(CHEMBL3422788)
Show SMILES CCCCCn1c2ccccc2cc(C(=O)NC2CCC(C)CC2)c1=O |(4.01,-7.39,;4.01,-6.16,;2.67,-5.39,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;5.06,.93,;3.99,3.08,;5.33,3.86,;5.33,5.4,;6.66,6.17,;7.99,5.4,;9.06,6.01,;7.99,3.86,;6.66,3.09,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C22H30N2O2/c1-3-4-7-14-24-20-9-6-5-8-17(20)15-19(22(24)26)21(25)23-18-12-10-16(2)11-13-18/h5-6,8-9,15-16,18H,3-4,7,10-14H2,1-2H3,(H,23,25)
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227n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB1 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
BindingDB Entry DOI: 10.7270/Q2VQ34DS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50082768
PNG
(CHEMBL3422788)
Show SMILES CCCCCn1c2ccccc2cc(C(=O)NC2CCC(C)CC2)c1=O |(4.01,-7.39,;4.01,-6.16,;2.67,-5.39,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;5.06,.93,;3.99,3.08,;5.33,3.86,;5.33,5.4,;6.66,6.17,;7.99,5.4,;9.06,6.01,;7.99,3.86,;6.66,3.09,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C22H30N2O2/c1-3-4-7-14-24-20-9-6-5-8-17(20)15-19(22(24)26)21(25)23-18-12-10-16(2)11-13-18/h5-6,8-9,15-16,18H,3-4,7,10-14H2,1-2H3,(H,23,25)
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n/an/an/an/a 2.51E+3n/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in rat cerebellar membranes after 90 mins by [35S]-GTPgammaS assay


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
BindingDB Entry DOI: 10.7270/Q2VQ34DS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50082768
PNG
(CHEMBL3422788)
Show SMILES CCCCCn1c2ccccc2cc(C(=O)NC2CCC(C)CC2)c1=O |(4.01,-7.39,;4.01,-6.16,;2.67,-5.39,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;5.06,.93,;3.99,3.08,;5.33,3.86,;5.33,5.4,;6.66,6.17,;7.99,5.4,;9.06,6.01,;7.99,3.86,;6.66,3.09,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C22H30N2O2/c1-3-4-7-14-24-20-9-6-5-8-17(20)15-19(22(24)26)21(25)23-18-12-10-16(2)11-13-18/h5-6,8-9,15-16,18H,3-4,7,10-14H2,1-2H3,(H,23,25)
PDB

Reactome pathway
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2n/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cell membranes after 90 mins by [35S]-GTPgammaS assay


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
BindingDB Entry DOI: 10.7270/Q2VQ34DS
More data for this
Ligand-Target Pair