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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
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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PubMed
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)

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
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)

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
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)

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
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)
PDB

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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)

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
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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PubMed
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)

More data for this
Ligand-Target Pair