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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50232929   
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))
BDBM50232929
PNG
(CHEMBL4085733)
Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccc(Cl)c(C)c1 |r,wU:1.0,wD:4.7,(52.61,-29.16,;51.83,-30.49,;52.58,-31.83,;51.8,-33.15,;50.26,-33.13,;49.5,-31.8,;50.29,-30.47,;49.48,-34.46,;47.94,-34.45,;47.18,-33.11,;47.16,-35.77,;45.62,-35.76,;44.85,-37.09,;45.61,-38.43,;47.14,-38.44,;47.9,-39.78,;47.12,-41.11,;45.58,-41.09,;44.8,-42.42,;45.56,-43.76,;44.79,-45.09,;47.11,-43.77,;47.89,-42.44,;47.93,-37.11,;49.47,-37.13,;43.31,-37.08,;42.54,-35.74,;41,-35.74,;40.23,-37.06,;38.69,-37.06,;40.99,-38.41,;40.21,-39.74,;42.53,-38.42,)|
Show InChI InChI=1S/C26H27ClFN3O2/c1-16-3-10-21(11-4-16)29-25(32)22-14-24(19-7-12-23(27)17(2)13-19)30-31(26(22)33)15-18-5-8-20(28)9-6-18/h5-9,12-14,16,21H,3-4,10-11,15H2,1-2H3,(H,29,32)/t16-,21-
PDB

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PC cid
PC sid
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Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...


Eur J Med Chem 127: 398-412 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.002
BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50232929
PNG
(CHEMBL4085733)
Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccc(Cl)c(C)c1 |r,wU:1.0,wD:4.7,(52.61,-29.16,;51.83,-30.49,;52.58,-31.83,;51.8,-33.15,;50.26,-33.13,;49.5,-31.8,;50.29,-30.47,;49.48,-34.46,;47.94,-34.45,;47.18,-33.11,;47.16,-35.77,;45.62,-35.76,;44.85,-37.09,;45.61,-38.43,;47.14,-38.44,;47.9,-39.78,;47.12,-41.11,;45.58,-41.09,;44.8,-42.42,;45.56,-43.76,;44.79,-45.09,;47.11,-43.77,;47.89,-42.44,;47.93,-37.11,;49.47,-37.13,;43.31,-37.08,;42.54,-35.74,;41,-35.74,;40.23,-37.06,;38.69,-37.06,;40.99,-38.41,;40.21,-39.74,;42.53,-38.42,)|
Show InChI InChI=1S/C26H27ClFN3O2/c1-16-3-10-21(11-4-16)29-25(32)22-14-24(19-7-12-23(27)17(2)13-19)30-31(26(22)33)15-18-5-8-20(28)9-6-18/h5-9,12-14,16,21H,3-4,10-11,15H2,1-2H3,(H,29,32)/t16-,21-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...


Eur J Med Chem 127: 398-412 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.002
BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair