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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 = 'BDBM50491567'   
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))
BDBM50491567
PNG
(CHEMBL2381797)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(cc12)-c1ccc(Cl)cc1 |TLB:14:15:19:13.18.12,THB:16:15:18.17.19:12|
Show InChI InChI=1S/C28H33ClN4O2/c1-2-3-4-9-32-17-23(26(34)30-28-14-18-10-19(15-28)12-20(11-18)16-28)27(35)33-25(32)13-24(31-33)21-5-7-22(29)8-6-21/h5-8,13,17-20H,2-4,9-12,14-16H2,1H3,(H,30,34)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.90n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting analysis


J Med Chem 56: 4482-96 (2013)


Article DOI: 10.1021/jm400182t
BindingDB Entry DOI: 10.7270/Q2NP27C0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50491567
PNG
(CHEMBL2381797)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(cc12)-c1ccc(Cl)cc1 |TLB:14:15:19:13.18.12,THB:16:15:18.17.19:12|
Show InChI InChI=1S/C28H33ClN4O2/c1-2-3-4-9-32-17-23(26(34)30-28-14-18-10-19(15-28)12-20(11-18)16-28)27(35)33-25(32)13-24(31-33)21-5-7-22(29)8-6-21/h5-8,13,17-20H,2-4,9-12,14-16H2,1H3,(H,30,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.20n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from Sprague-Dawley rat spleen CB2 receptor after 60 mins by scintillation counting analysis


J Med Chem 56: 4482-96 (2013)


Article DOI: 10.1021/jm400182t
BindingDB Entry DOI: 10.7270/Q2NP27C0
More data for this
Ligand-Target Pair