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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 = 'BDBM50334577'   
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))
BDBM50334577
PNG
(CHEMBL1641959 | N3-(1-Adamantyl)-1-pentyl-6-phenyl...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=S)cc1-c1ccccc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19|
Show InChI InChI=1S/C27H34N2OS/c1-2-3-7-10-29-18-23(25(31)14-24(29)22-8-5-4-6-9-22)26(30)28-27-15-19-11-20(16-27)13-21(12-19)17-27/h4-6,8-9,14,18-21H,2-3,7,10-13,15-17H2,1H3,(H,28,30)
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PC cid
PC sid
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Similars

Article
PubMed
18.8n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334577
PNG
(CHEMBL1641959 | N3-(1-Adamantyl)-1-pentyl-6-phenyl...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=S)cc1-c1ccccc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19|
Show InChI InChI=1S/C27H34N2OS/c1-2-3-7-10-29-18-23(25(31)14-24(29)22-8-5-4-6-9-22)26(30)28-27-15-19-11-20(16-27)13-21(12-19)17-27/h4-6,8-9,14,18-21H,2-3,7,10-13,15-17H2,1H3,(H,28,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 17n/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair