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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 = 'BDBM50202511'   
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))
BDBM50202511
PNG
(CHEMBL3982062)
Show SMILES Cc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 |TLB:10:11:8.9.14:15,THB:10:9:15:16.11.12,12:11:8:14.13.15,12:13:8:16.10.11|
Show InChI InChI=1S/C23H28N2O/c1-15-8-21(16(2)25(15)20-6-4-3-5-7-20)22(26)24-23-12-17-9-18(13-23)11-19(10-17)14-23/h3-8,17-19H,9-14H2,1-2H3,(H,24,26)
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PC cid
PC sid
UniChem
Article
PubMed
7.60n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50202511
PNG
(CHEMBL3982062)
Show SMILES Cc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 |TLB:10:11:8.9.14:15,THB:10:9:15:16.11.12,12:11:8:14.13.15,12:13:8:16.10.11|
Show InChI InChI=1S/C23H28N2O/c1-15-8-21(16(2)25(15)20-6-4-3-5-7-20)22(26)24-23-12-17-9-18(13-23)11-19(10-17)14-23/h3-8,17-19H,9-14H2,1-2H3,(H,24,26)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 109n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as reduction in NKH-477-induced intracellular cAMP levels after 30 mins in ...


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair