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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 = 'BDBM50541737'   
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))
BDBM50541737
PNG
(CHEMBL4640659)
Show SMILES CCCCn1c2cn(C)nc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:20:21:19.18.24:25,THB:20:19:26.21.22:25,22:21:18:24.23.25,22:23:26.21.20:18|
Show InChI InChI=1S/C22H30N4O3/c1-3-4-5-26-16-12-25(2)24-18(16)19(27)17(21(26)29)20(28)23-22-9-13-6-14(10-22)8-15(7-13)11-22/h12-15,27H,3-11H2,1-2H3,(H,23,28)
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PC cid
PC sid
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Article
PubMed
2.5n/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))
BDBM50541737
PNG
(CHEMBL4640659)
Show SMILES CCCCn1c2cn(C)nc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:20:21:19.18.24:25,THB:20:19:26.21.22:25,22:21:18:24.23.25,22:23:26.21.20:18|
Show InChI InChI=1S/C22H30N4O3/c1-3-4-5-26-16-12-25(2)24-18(16)19(27)17(21(26)29)20(28)23-22-9-13-6-14(10-22)8-15(7-13)11-22/h12-15,27H,3-11H2,1-2H3,(H,23,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 370n/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