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BDBM50395167 CHEMBL2163930

SMILES: CCC1COc2cccc3c2n1cc(C(=O)NC1C2CC4CC(C2)CC1C4)c3=O

InChI Key: InChIKey=AUEMKSKNGASOAA-UHFFFAOYSA-N

Data: 4 KI  1 IC50

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 = 50395167   
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))
BDBM50395167
PNG
(CHEMBL2163930)
Show SMILES CCC1COc2cccc3c2n1cc(C(=O)NC1C2CC4CC(C2)CC1C4)c3=O |TLB:26:25:23:19.20.21,THB:26:20:17.25.24:23,16:17:23:19.20.21,21:20:17:24.22.23,21:22:17:19.26.20,(22.66,-38.66,;22.67,-37.12,;21.34,-36.34,;20.01,-37.1,;18.68,-36.32,;18.69,-34.79,;17.36,-34.02,;17.36,-32.48,;18.69,-31.71,;20.03,-32.47,;20.03,-34.03,;21.36,-34.8,;22.72,-34.03,;22.72,-32.47,;24.06,-31.71,;24.06,-30.17,;25.39,-32.48,;26.73,-31.71,;27.92,-30.44,;29.25,-30.93,;30.65,-30.58,;30.66,-29.05,;29.26,-28.47,;27.92,-28.95,;28.22,-29.7,;28.23,-31.29,;29.64,-31.86,;21.37,-31.69,;21.37,-30.15,)|
Show InChI InChI=1S/C24H28N2O3/c1-2-17-12-29-20-5-3-4-18-22(20)26(17)11-19(23(18)27)24(28)25-21-15-7-13-6-14(9-15)10-16(21)8-13/h3-5,11,13-17,21H,2,6-10,12H2,1H3,(H,25,28)
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13.2n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50395167
PNG
(CHEMBL2163930)
Show SMILES CCC1COc2cccc3c2n1cc(C(=O)NC1C2CC4CC(C2)CC1C4)c3=O |TLB:26:25:23:19.20.21,THB:26:20:17.25.24:23,16:17:23:19.20.21,21:20:17:24.22.23,21:22:17:19.26.20,(22.66,-38.66,;22.67,-37.12,;21.34,-36.34,;20.01,-37.1,;18.68,-36.32,;18.69,-34.79,;17.36,-34.02,;17.36,-32.48,;18.69,-31.71,;20.03,-32.47,;20.03,-34.03,;21.36,-34.8,;22.72,-34.03,;22.72,-32.47,;24.06,-31.71,;24.06,-30.17,;25.39,-32.48,;26.73,-31.71,;27.92,-30.44,;29.25,-30.93,;30.65,-30.58,;30.66,-29.05,;29.26,-28.47,;27.92,-28.95,;28.22,-29.7,;28.23,-31.29,;29.64,-31.86,;21.37,-31.69,;21.37,-30.15,)|
Show InChI InChI=1S/C24H28N2O3/c1-2-17-12-29-20-5-3-4-18-22(20)26(17)11-19(23(18)27)24(28)25-21-15-7-13-6-14(9-15)10-16(21)8-13/h3-5,11,13-17,21H,2,6-10,12H2,1H3,(H,25,28)
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16.1n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in Sprague-Dawley rat spleen by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50395167
PNG
(CHEMBL2163930)
Show SMILES CCC1COc2cccc3c2n1cc(C(=O)NC1C2CC4CC(C2)CC1C4)c3=O |TLB:26:25:23:19.20.21,THB:26:20:17.25.24:23,16:17:23:19.20.21,21:20:17:24.22.23,21:22:17:19.26.20,(22.66,-38.66,;22.67,-37.12,;21.34,-36.34,;20.01,-37.1,;18.68,-36.32,;18.69,-34.79,;17.36,-34.02,;17.36,-32.48,;18.69,-31.71,;20.03,-32.47,;20.03,-34.03,;21.36,-34.8,;22.72,-34.03,;22.72,-32.47,;24.06,-31.71,;24.06,-30.17,;25.39,-32.48,;26.73,-31.71,;27.92,-30.44,;29.25,-30.93,;30.65,-30.58,;30.66,-29.05,;29.26,-28.47,;27.92,-28.95,;28.22,-29.7,;28.23,-31.29,;29.64,-31.86,;21.37,-31.69,;21.37,-30.15,)|
Show InChI InChI=1S/C24H28N2O3/c1-2-17-12-29-20-5-3-4-18-22(20)26(17)11-19(23(18)27)24(28)25-21-15-7-13-6-14(9-15)10-16(21)8-13/h3-5,11,13-17,21H,2,6-10,12H2,1H3,(H,25,28)
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389n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cell membranes incubated for 90 mins by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50395167
PNG
(CHEMBL2163930)
Show SMILES CCC1COc2cccc3c2n1cc(C(=O)NC1C2CC4CC(C2)CC1C4)c3=O |TLB:26:25:23:19.20.21,THB:26:20:17.25.24:23,16:17:23:19.20.21,21:20:17:24.22.23,21:22:17:19.26.20,(22.66,-38.66,;22.67,-37.12,;21.34,-36.34,;20.01,-37.1,;18.68,-36.32,;18.69,-34.79,;17.36,-34.02,;17.36,-32.48,;18.69,-31.71,;20.03,-32.47,;20.03,-34.03,;21.36,-34.8,;22.72,-34.03,;22.72,-32.47,;24.06,-31.71,;24.06,-30.17,;25.39,-32.48,;26.73,-31.71,;27.92,-30.44,;29.25,-30.93,;30.65,-30.58,;30.66,-29.05,;29.26,-28.47,;27.92,-28.95,;28.22,-29.7,;28.23,-31.29,;29.64,-31.86,;21.37,-31.69,;21.37,-30.15,)|
Show InChI InChI=1S/C24H28N2O3/c1-2-17-12-29-20-5-3-4-18-22(20)26(17)11-19(23(18)27)24(28)25-21-15-7-13-6-14(9-15)10-16(21)8-13/h3-5,11,13-17,21H,2,6-10,12H2,1H3,(H,25,28)
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425n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50395167
PNG
(CHEMBL2163930)
Show SMILES CCC1COc2cccc3c2n1cc(C(=O)NC1C2CC4CC(C2)CC1C4)c3=O |TLB:26:25:23:19.20.21,THB:26:20:17.25.24:23,16:17:23:19.20.21,21:20:17:24.22.23,21:22:17:19.26.20,(22.66,-38.66,;22.67,-37.12,;21.34,-36.34,;20.01,-37.1,;18.68,-36.32,;18.69,-34.79,;17.36,-34.02,;17.36,-32.48,;18.69,-31.71,;20.03,-32.47,;20.03,-34.03,;21.36,-34.8,;22.72,-34.03,;22.72,-32.47,;24.06,-31.71,;24.06,-30.17,;25.39,-32.48,;26.73,-31.71,;27.92,-30.44,;29.25,-30.93,;30.65,-30.58,;30.66,-29.05,;29.26,-28.47,;27.92,-28.95,;28.22,-29.7,;28.23,-31.29,;29.64,-31.86,;21.37,-31.69,;21.37,-30.15,)|
Show InChI InChI=1S/C24H28N2O3/c1-2-17-12-29-20-5-3-4-18-22(20)26(17)11-19(23(18)27)24(28)25-21-15-7-13-6-14(9-15)10-16(21)8-13/h3-5,11,13-17,21H,2,6-10,12H2,1H3,(H,25,28)
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PubMed
n/an/a 57n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-induced cAMP accumulation


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair