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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 = 'BDBM50316531'   
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))
BDBM50316531
PNG
(CHEMBL1095553 | N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-...)
Show SMILES CC1(C)C[C@@H](NC(=O)c2n[nH]c3ccccc23)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C30H23Cl3N4O2/c1-30(2)15-25(34-28(38)27-20-5-3-4-6-24(20)36-37-27)22-14-21(16-7-9-17(31)10-8-16)26(35-29(22)39-30)19-12-11-18(32)13-23(19)33/h3-14,25H,15H2,1-2H3,(H,34,38)(H,36,37)/t25-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant cannabinoid CB2 receptor expressed in CHO cells


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair