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BDBM50180026 CHEMBL264521::N3-(2-adamantyl)-4-oxo-1-pentyl-1,4-dihydroquinoline-3-carboxamide

SMILES: CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)c2ccccc12

InChI Key: InChIKey=OZNIGHJFOUDOAH-UHFFFAOYSA-N

Data: 4 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 5 hits for monomerid = 50180026   
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))
BDBM50180026
PNG
(CHEMBL264521 | N3-(2-adamantyl)-4-oxo-1-pentyl-1,4...)
Show SMILES CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)c2ccccc12 |TLB:20:19:15.14.13:17,THB:15:14:11:16.17.18,15:16:11:14.13.20,20:14:17:11.18.19,10:11:15.14.13:17,(-9.3,-21.93,;-7.97,-22.7,;-6.63,-21.93,;-6.63,-20.39,;-5.3,-19.62,;-5.3,-18.08,;-3.97,-17.32,;-3.97,-15.78,;-2.63,-15.01,;-1.3,-15.78,;-2.63,-13.47,;-1.29,-12.7,;-1.18,-11.17,;.24,-10.91,;1.54,-11.49,;2.82,-10.29,;1.29,-10.61,;-.08,-9.96,;1.19,-12.2,;.07,-13.36,;1.45,-12.98,;-5.3,-15,;-5.3,-13.46,;-6.62,-15.78,;-7.95,-15.01,;-9.28,-15.78,;-9.28,-17.32,;-7.95,-18.08,;-6.63,-17.32,)|
Show InChI InChI=1S/C25H32N2O2/c1-2-3-6-9-27-15-21(24(28)20-7-4-5-8-22(20)27)25(29)26-23-18-11-16-10-17(13-18)14-19(23)12-16/h4-5,7-8,15-19,23H,2-3,6,9-14H2,1H3,(H,26,29)
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13.4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180026
PNG
(CHEMBL264521 | N3-(2-adamantyl)-4-oxo-1-pentyl-1,4...)
Show SMILES CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)c2ccccc12 |TLB:20:19:15.14.13:17,THB:15:14:11:16.17.18,15:16:11:14.13.20,20:14:17:11.18.19,10:11:15.14.13:17,(-9.3,-21.93,;-7.97,-22.7,;-6.63,-21.93,;-6.63,-20.39,;-5.3,-19.62,;-5.3,-18.08,;-3.97,-17.32,;-3.97,-15.78,;-2.63,-15.01,;-1.3,-15.78,;-2.63,-13.47,;-1.29,-12.7,;-1.18,-11.17,;.24,-10.91,;1.54,-11.49,;2.82,-10.29,;1.29,-10.61,;-.08,-9.96,;1.19,-12.2,;.07,-13.36,;1.45,-12.98,;-5.3,-15,;-5.3,-13.46,;-6.62,-15.78,;-7.95,-15.01,;-9.28,-15.78,;-9.28,-17.32,;-7.95,-18.08,;-6.63,-17.32,)|
Show InChI InChI=1S/C25H32N2O2/c1-2-3-6-9-27-15-21(24(28)20-7-4-5-8-22(20)27)25(29)26-23-18-11-16-10-17(13-18)14-19(23)12-16/h4-5,7-8,15-19,23H,2-3,6,9-14H2,1H3,(H,26,29)
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13.4n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50180026
PNG
(CHEMBL264521 | N3-(2-adamantyl)-4-oxo-1-pentyl-1,4...)
Show SMILES CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)c2ccccc12 |TLB:20:19:15.14.13:17,THB:15:14:11:16.17.18,15:16:11:14.13.20,20:14:17:11.18.19,10:11:15.14.13:17,(-9.3,-21.93,;-7.97,-22.7,;-6.63,-21.93,;-6.63,-20.39,;-5.3,-19.62,;-5.3,-18.08,;-3.97,-17.32,;-3.97,-15.78,;-2.63,-15.01,;-1.3,-15.78,;-2.63,-13.47,;-1.29,-12.7,;-1.18,-11.17,;.24,-10.91,;1.54,-11.49,;2.82,-10.29,;1.29,-10.61,;-.08,-9.96,;1.19,-12.2,;.07,-13.36,;1.45,-12.98,;-5.3,-15,;-5.3,-13.46,;-6.62,-15.78,;-7.95,-15.01,;-9.28,-15.78,;-9.28,-17.32,;-7.95,-18.08,;-6.63,-17.32,)|
Show InChI InChI=1S/C25H32N2O2/c1-2-3-6-9-27-15-21(24(28)20-7-4-5-8-22(20)27)25(29)26-23-18-11-16-10-17(13-18)14-19(23)12-16/h4-5,7-8,15-19,23H,2-3,6,9-14H2,1H3,(H,26,29)
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1.93E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB1 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50180026
PNG
(CHEMBL264521 | N3-(2-adamantyl)-4-oxo-1-pentyl-1,4...)
Show SMILES CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)c2ccccc12 |TLB:20:19:15.14.13:17,THB:15:14:11:16.17.18,15:16:11:14.13.20,20:14:17:11.18.19,10:11:15.14.13:17,(-9.3,-21.93,;-7.97,-22.7,;-6.63,-21.93,;-6.63,-20.39,;-5.3,-19.62,;-5.3,-18.08,;-3.97,-17.32,;-3.97,-15.78,;-2.63,-15.01,;-1.3,-15.78,;-2.63,-13.47,;-1.29,-12.7,;-1.18,-11.17,;.24,-10.91,;1.54,-11.49,;2.82,-10.29,;1.29,-10.61,;-.08,-9.96,;1.19,-12.2,;.07,-13.36,;1.45,-12.98,;-5.3,-15,;-5.3,-13.46,;-6.62,-15.78,;-7.95,-15.01,;-9.28,-15.78,;-9.28,-17.32,;-7.95,-18.08,;-6.63,-17.32,)|
Show InChI InChI=1S/C25H32N2O2/c1-2-3-6-9-27-15-21(24(28)20-7-4-5-8-22(20)27)25(29)26-23-18-11-16-10-17(13-18)14-19(23)12-16/h4-5,7-8,15-19,23H,2-3,6,9-14H2,1H3,(H,26,29)
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1.93E+3n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]SR-141716A from human CB1 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180026
PNG
(CHEMBL264521 | N3-(2-adamantyl)-4-oxo-1-pentyl-1,4...)
Show SMILES CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)c2ccccc12 |TLB:20:19:15.14.13:17,THB:15:14:11:16.17.18,15:16:11:14.13.20,20:14:17:11.18.19,10:11:15.14.13:17,(-9.3,-21.93,;-7.97,-22.7,;-6.63,-21.93,;-6.63,-20.39,;-5.3,-19.62,;-5.3,-18.08,;-3.97,-17.32,;-3.97,-15.78,;-2.63,-15.01,;-1.3,-15.78,;-2.63,-13.47,;-1.29,-12.7,;-1.18,-11.17,;.24,-10.91,;1.54,-11.49,;2.82,-10.29,;1.29,-10.61,;-.08,-9.96,;1.19,-12.2,;.07,-13.36,;1.45,-12.98,;-5.3,-15,;-5.3,-13.46,;-6.62,-15.78,;-7.95,-15.01,;-9.28,-15.78,;-9.28,-17.32,;-7.95,-18.08,;-6.63,-17.32,)|
Show InChI InChI=1S/C25H32N2O2/c1-2-3-6-9-27-15-21(24(28)20-7-4-5-8-22(20)27)25(29)26-23-18-11-16-10-17(13-18)14-19(23)12-16/h4-5,7-8,15-19,23H,2-3,6,9-14H2,1H3,(H,26,29)
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n/an/an/an/a 24.8n/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Effect on [35S]GTP-gamma-S binding to human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC
More data for this
Ligand-Target Pair