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BDBM50082769 CHEMBL3422790

SMILES: CC1CCC(CC1)NC(=O)c1c(O)c2cccnc2n(Cc2ccc(F)cc2)c1=O

InChI Key: InChIKey=DTACOIAFVQJIHP-UHFFFAOYSA-N

Data: 2 KI  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 3 hits for monomerid = 50082769   
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))
BDBM50082769
PNG
(CHEMBL3422790)
Show SMILES CC1CCC(CC1)NC(=O)c1c(O)c2cccnc2n(Cc2ccc(F)cc2)c1=O |(9.06,6.01,;7.99,5.4,;6.66,6.17,;5.33,5.4,;5.33,3.86,;6.66,3.09,;7.99,3.86,;3.99,3.08,;3.99,1.54,;5.06,.93,;2.66,.77,;1.33,1.54,;1.33,2.77,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.68,-5.39,;4.01,-6.15,;5.34,-5.38,;6.41,-5.99,;5.34,-3.84,;4,-3.07,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C23H24FN3O3/c1-14-4-10-17(11-5-14)26-22(29)19-20(28)18-3-2-12-25-21(18)27(23(19)30)13-15-6-8-16(24)9-7-15/h2-3,6-9,12,14,17,28H,4-5,10-11,13H2,1H3,(H,26,29)
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PubMed
0.75n/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))
BDBM50082769
PNG
(CHEMBL3422790)
Show SMILES CC1CCC(CC1)NC(=O)c1c(O)c2cccnc2n(Cc2ccc(F)cc2)c1=O |(9.06,6.01,;7.99,5.4,;6.66,6.17,;5.33,5.4,;5.33,3.86,;6.66,3.09,;7.99,3.86,;3.99,3.08,;3.99,1.54,;5.06,.93,;2.66,.77,;1.33,1.54,;1.33,2.77,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.68,-5.39,;4.01,-6.15,;5.34,-5.38,;6.41,-5.99,;5.34,-3.84,;4,-3.07,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C23H24FN3O3/c1-14-4-10-17(11-5-14)26-22(29)19-20(28)18-3-2-12-25-21(18)27(23(19)30)13-15-6-8-16(24)9-7-15/h2-3,6-9,12,14,17,28H,4-5,10-11,13H2,1H3,(H,26,29)
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PubMed
139n/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 2


(Homo sapiens (Human))
BDBM50082769
PNG
(CHEMBL3422790)
Show SMILES CC1CCC(CC1)NC(=O)c1c(O)c2cccnc2n(Cc2ccc(F)cc2)c1=O |(9.06,6.01,;7.99,5.4,;6.66,6.17,;5.33,5.4,;5.33,3.86,;6.66,3.09,;7.99,3.86,;3.99,3.08,;3.99,1.54,;5.06,.93,;2.66,.77,;1.33,1.54,;1.33,2.77,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.68,-5.39,;4.01,-6.15,;5.34,-5.38,;6.41,-5.99,;5.34,-3.84,;4,-3.07,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C23H24FN3O3/c1-14-4-10-17(11-5-14)26-22(29)19-20(28)18-3-2-12-25-21(18)27(23(19)30)13-15-6-8-16(24)9-7-15/h2-3,6-9,12,14,17,28H,4-5,10-11,13H2,1H3,(H,26,29)
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Article
PubMed
n/an/an/an/a 3.20n/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