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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 = 'BDBM50541732'   
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))
BDBM50541732
PNG
(CHEMBL4636524)
Show SMILES CCCCCn1c2cn(CCO)nc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:23:24:22.21.27:28,THB:23:22:29.24.25:28,25:24:21:27.26.28,25:26:29.24.23:21|
Show InChI InChI=1S/C24H34N4O4/c1-2-3-4-5-28-18-14-27(6-7-29)26-20(18)21(30)19(23(28)32)22(31)25-24-11-15-8-16(12-24)10-17(9-15)13-24/h14-17,29-30H,2-13H2,1H3,(H,25,31)
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PC cid
PC sid
UniChem
Article
PubMed
4.80n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from recombinant human CB2R expressed in HEK293 cell membranes


J Med Chem 63: 7369-7391 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00595
BindingDB Entry DOI: 10.7270/Q2N01B3C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50541732
PNG
(CHEMBL4636524)
Show SMILES CCCCCn1c2cn(CCO)nc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:23:24:22.21.27:28,THB:23:22:29.24.25:28,25:24:21:27.26.28,25:26:29.24.23:21|
Show InChI InChI=1S/C24H34N4O4/c1-2-3-4-5-28-18-14-27(6-7-29)26-20(18)21(30)19(23(28)32)22(31)25-24-11-15-8-16(12-24)10-17(9-15)13-24/h14-17,29-30H,2-13H2,1H3,(H,25,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 880n/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human CB2R expressed in CHOK1 cells assessed as increase in NKH477-stimulated intracellular cAMP levels after...


J Med Chem 63: 7369-7391 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00595
BindingDB Entry DOI: 10.7270/Q2N01B3C
More data for this
Ligand-Target Pair