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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 = 'BDBM50272390'   
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))
BDBM50272390
PNG
(CHEMBL500414 | N-(Adamant-1-yl)-6-(3-chloro-4-fluo...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Oc3ccc(F)c(Cl)c3)ccc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C31H34ClFN2O3/c1-2-3-4-9-35-18-25(30(37)34-31-15-19-10-20(16-31)12-21(11-19)17-31)29(36)24-13-22(6-8-28(24)35)38-23-5-7-27(33)26(32)14-23/h5-8,13-14,18-21H,2-4,9-12,15-17H2,1H3,(H,34,37)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
16.1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells


J Med Chem 51: 5075-84 (2008)


Article DOI: 10.1021/jm800552f
BindingDB Entry DOI: 10.7270/Q20R9Q9B
More data for this
Ligand-Target Pair