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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 = 'BDBM50020595'   
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


(MOUSE)		BDBM50020595
PNG
(CHEMBL3290445)
Show SMILES Cc1ccc2c(c1)oc1c(nn(-c3ccc(Cl)cc3Cl)c21)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:23:24:26:30.28.29,THB:28:27:24:30.29.31,28:29:26.27.33:24,23:24:26.27.33:30.29.31,31:29:26:33.32.24,31:32:26:30.28.29,(4.16,-12.51,;5.31,-11.47,;4.98,-9.97,;6.13,-8.94,;7.6,-9.42,;7.91,-10.92,;6.77,-11.96,;9.44,-11.08,;10.07,-9.68,;11.41,-8.91,;11.09,-7.4,;9.55,-7.24,;8.78,-5.9,;9.55,-4.57,;8.78,-3.24,;7.24,-3.24,;6.47,-1.9,;6.47,-4.57,;7.24,-5.9,;6.47,-7.24,;8.93,-8.65,;12.81,-9.53,;12.97,-11.07,;14.06,-8.63,;15.47,-9.26,;15.48,-10.66,;14.35,-11.86,;15.76,-11.47,;17.09,-12,;18.04,-10.8,;16.72,-11.12,;18.06,-9.35,;16.73,-8.81,;15.75,-9.97,)|
Show InChI InChI=1S/C27H25Cl2N3O2/c1-13-2-4-19-22(6-13)34-26-24(31-32(25(19)26)21-5-3-18(28)12-20(21)29)27(33)30-23-16-8-14-7-15(10-16)11-17(23)9-14/h2-6,12,14-17,23H,7-11H2,1H3,(H,30,33)
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Similars
Article
PubMed
 18n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from CB2 receptor in CD1 mouse spleen homogenate after 1 hr by liquid scintillation counting analysis

Eur J Med Chem 82: 281-92 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.055
BindingDB Entry DOI: 10.7270/Q2D2206G
More data for this
Ligand-Target Pair