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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50332894'   
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))
BDBM50332894
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCCCCCC(C)NC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(29.45,-13.96,;28.68,-12.63,;27.14,-12.64,;26.36,-11.31,;24.82,-11.32,;24.04,-9.99,;22.5,-9.99,;21.74,-11.33,;21.73,-8.67,;20.18,-8.67,;19.42,-7.35,;19.41,-10.03,;19.82,-11.5,;18.55,-12.35,;17.35,-11.39,;17.89,-9.95,;17.06,-8.65,;15.82,-11.31,;14.89,-10.07,;15.34,-8.6,;13.44,-10.56,;13.45,-12.09,;14.92,-12.56,;15.41,-14.02,;18.55,-13.9,;17.22,-14.67,;17.22,-16.21,;18.55,-16.98,;18.55,-18.52,;19.89,-16.21,;19.88,-14.66,;21.23,-13.88,)|
Show InChI InChI=1S/C25H32Cl2N4O/c1-6-7-8-9-10-16(2)28-24(32)23-19(5)25(30-17(3)11-12-18(30)4)31(29-23)22-14-13-20(26)15-21(22)27/h11-16H,6-10H2,1-5H3,(H,28,32)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
136n/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