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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50224074'   
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))
BDBM50224074
PNG
(((+/-)-N3-(1-(1,2,3,4-tetrahydronaphthyl))-6-chlor...)
Show SMILES CCCCCn1cc(C(=O)NC2CCCc3ccccc23)c(=O)c2cc(Cl)ccc12 |w:11.10|
Show InChI InChI=1S/C25H27ClN2O2/c1-2-3-6-14-28-16-21(24(29)20-15-18(26)12-13-23(20)28)25(30)27-22-11-7-9-17-8-4-5-10-19(17)22/h4-5,8,10,12-13,15-16,22H,2-3,6-7,9,11,14H2,1H3,(H,27,30)
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PC cid
PC sid
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Similars

Article
PubMed
121n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224074
PNG
(((+/-)-N3-(1-(1,2,3,4-tetrahydronaphthyl))-6-chlor...)
Show SMILES CCCCCn1cc(C(=O)NC2CCCc3ccccc23)c(=O)c2cc(Cl)ccc12 |w:11.10|
Show InChI InChI=1S/C25H27ClN2O2/c1-2-3-6-14-28-16-21(24(29)20-15-18(26)12-13-23(20)28)25(30)27-22-11-7-9-17-8-4-5-10-19(17)22/h4-5,8,10,12-13,15-16,22H,2-3,6-7,9,11,14H2,1H3,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
121n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair