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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50332884   
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))
BDBM50332884
PNG
(1-(2,4-Difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCCCCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(F)cc1F |(21.32,-18.34,;20.51,-17.03,;18.97,-17.07,;18.17,-15.76,;16.63,-15.8,;15.82,-14.49,;14.28,-14.53,;13.47,-13.23,;11.93,-13.27,;11.13,-11.97,;11.18,-14.64,;11.6,-16.11,;10.33,-16.97,;9.13,-16,;9.67,-14.57,;8.84,-13.26,;7.71,-16.6,;6.42,-15.73,;6.33,-14.19,;5.23,-16.68,;5.74,-18.11,;7.28,-18.07,;7.9,-18.95,;10.32,-18.51,;8.99,-19.28,;8.99,-20.83,;10.33,-21.6,;10.33,-23.14,;11.66,-20.83,;11.66,-19.28,;13,-18.49,)|
Show InChI InChI=1S/C24H30F2N4O/c1-5-6-7-8-9-14-27-23(31)22-18(4)24(29-16(2)10-11-17(29)3)30(28-22)21-13-12-19(25)15-20(21)26/h10-13,15H,5-9,14H2,1-4H3,(H,27,31)
PDB

Reactome pathway
KEGG

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antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
366n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332884
PNG
(1-(2,4-Difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCCCCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(F)cc1F |(21.32,-18.34,;20.51,-17.03,;18.97,-17.07,;18.17,-15.76,;16.63,-15.8,;15.82,-14.49,;14.28,-14.53,;13.47,-13.23,;11.93,-13.27,;11.13,-11.97,;11.18,-14.64,;11.6,-16.11,;10.33,-16.97,;9.13,-16,;9.67,-14.57,;8.84,-13.26,;7.71,-16.6,;6.42,-15.73,;6.33,-14.19,;5.23,-16.68,;5.74,-18.11,;7.28,-18.07,;7.9,-18.95,;10.32,-18.51,;8.99,-19.28,;8.99,-20.83,;10.33,-21.6,;10.33,-23.14,;11.66,-20.83,;11.66,-19.28,;13,-18.49,)|
Show InChI InChI=1S/C24H30F2N4O/c1-5-6-7-8-9-14-27-23(31)22-18(4)24(29-16(2)10-11-17(29)3)30(28-22)21-13-12-19(25)15-20(21)26/h10-13,15H,5-9,14H2,1-4H3,(H,27,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
368n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair