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Compile Data Set for Download or QSAR

Found 3 hits with Last Name = 'ferrini' and Initial = 'me'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50067499
PNG
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1
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Article
PubMed
2.66n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant cannabinoid CB2 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 21: 5859-62 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.099
BindingDB Entry DOI: 10.7270/Q2K074P5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354474
PNG
(CHEMBL1836868)
Show SMILES CCCCCN1C(=O)C(=NNC(=O)CN(C)c2ccc([N+]([O-])=O)c3nonc23)c2ccc(OC)cc12 |w:9.9|
Show InChI InChI=1S/C23H25N7O6/c1-4-5-6-11-29-18-12-14(35-3)7-8-15(18)20(23(29)32)25-24-19(31)13-28(2)16-9-10-17(30(33)34)22-21(16)26-36-27-22/h7-10,12H,4-6,11,13H2,1-3H3,(H,24,31)
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387n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant cannabinoid CB2 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 21: 5859-62 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.099
BindingDB Entry DOI: 10.7270/Q2K074P5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50265682
PNG
(CHEMBL524089 | N'-[(3Z)-6-Methoxy-1-pentyl-2-oxo-1...)
Show SMILES CCCCCN1C(=O)C(=NNC(=O)CN2CCOCC2)c2ccc(OC)cc12 |w:9.9|
Show InChI InChI=1S/C20H28N4O4/c1-3-4-5-8-24-17-13-15(27-2)6-7-16(17)19(20(24)26)22-21-18(25)14-23-9-11-28-12-10-23/h6-7,13H,3-5,8-12,14H2,1-2H3,(H,21,25)
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Article
PubMed
n/an/an/an/a 13.3n/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Antagonist activity at cannabinoid CB2 receptor


Bioorg Med Chem Lett 21: 5859-62 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.099
BindingDB Entry DOI: 10.7270/Q2K074P5
More data for this
Ligand-Target Pair