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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 = 'BDBM113768'   
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))		BDBM113768
PNG
((E)-N-(3,4-Dihydroxyphenethyl)-6-((1R,2R)-3,3-dime...)
Show SMILES CC(=C)CC[C@@H]1[C@@H](CC1(C)C)C(=C)CC\C=C\C(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C26H37NO3/c1-18(2)10-12-22-21(17-26(22,4)5)19(3)8-6-7-9-25(30)27-15-14-20-11-13-23(28)24(29)16-20/h7,9,11,13,16,21-22,28-29H,1,3,6,8,10,12,14-15,17H2,2,4-5H3,(H,27,30)/b9-7+/t21-,22+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
 6.50E+3 -30.1n/an/an/an/an/a7.430



University of Bern , Bühlstrasse 28, CH-3012 Bern, Switzerland.



Assay Description
In this assay, 18 ug of crude membrane expressing hCB1 or hCB2 receptors were re-suspended in 300 uL of binding buffer containing 50 mM Tris-HCl, 2.5...

ACS Chem Biol 9: 1499-507 (2014)


Article DOI: 10.1021/cb500177c
BindingDB Entry DOI: 10.7270/Q2T15295
More data for this
Ligand-Target Pair