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SMILES: Cc1ccc(cc1CCN1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C

InChI Key: InChIKey=PTKPZECZKOROHB-KTAMEUSZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50301318   
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))
BDBM50301318
PNG
(4-methyl-3-(2-morpholinoethyl)-N-((1S,4R)-1,3,3-tr...)
Show SMILES Cc1ccc(cc1CCN1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C |r|
Show InChI InChI=1S/C24H36N2O2/c1-17-5-6-19(15-18(17)8-10-26-11-13-28-14-12-26)21(27)25-22-23(2,3)20-7-9-24(22,4)16-20/h5-6,15,20,22H,7-14,16H2,1-4H3,(H,25,27)/t20-,22?,24+/m1/s1
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45n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301318
PNG
(4-methyl-3-(2-morpholinoethyl)-N-((1S,4R)-1,3,3-tr...)
Show SMILES Cc1ccc(cc1CCN1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C |r|
Show InChI InChI=1S/C24H36N2O2/c1-17-5-6-19(15-18(17)8-10-26-11-13-28-14-12-26)21(27)25-22-23(2,3)20-7-9-24(22,4)16-20/h5-6,15,20,22H,7-14,16H2,1-4H3,(H,25,27)/t20-,22?,24+/m1/s1
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PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301318
PNG
(4-methyl-3-(2-morpholinoethyl)-N-((1S,4R)-1,3,3-tr...)
Show SMILES Cc1ccc(cc1CCN1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C |r|
Show InChI InChI=1S/C24H36N2O2/c1-17-5-6-19(15-18(17)8-10-26-11-13-28-14-12-26)21(27)25-22-23(2,3)20-7-9-24(22,4)16-20/h5-6,15,20,22H,7-14,16H2,1-4H3,(H,25,27)/t20-,22?,24+/m1/s1
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PubMed
n/an/an/an/a 64n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1
More data for this
Ligand-Target Pair