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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50277226   
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))
BDBM50277226
PNG
(4-(2-methyl-5-(5-neopentyl-1H-1,2,4-triazol-3-yl)p...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1nnc(CC(C)(C)C)[nH]1
Show InChI InChI=1S/C18H26N4O3S/c1-13-5-6-14(17-19-16(20-21-17)12-18(2,3)4)11-15(13)26(23,24)22-7-9-25-10-8-22/h5-6,11H,7-10,12H2,1-4H3,(H,19,20,21)
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PC cid
PC sid
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85n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cloned CB2 receptor by scintillation spectrometry


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50277226
PNG
(4-(2-methyl-5-(5-neopentyl-1H-1,2,4-triazol-3-yl)p...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1nnc(CC(C)(C)C)[nH]1
Show InChI InChI=1S/C18H26N4O3S/c1-13-5-6-14(17-19-16(20-21-17)12-18(2,3)4)11-15(13)26(23,24)22-7-9-25-10-8-22/h5-6,11H,7-10,12H2,1-4H3,(H,19,20,21)
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PC cid
PC sid
UniChem
Article
PubMed
140n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cloned CB1 receptor by scintillation spectrometry


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair