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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 = 'BDBM50541722'   
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))
BDBM50541722
PNG
(CHEMBL4641997)
Show SMILES Cn1cc2n(CCCCF)c(=O)c(C(=O)NC34CC5CC(CC(O)(C5)C3)C4)c(O)c2n1 |TLB:19:20:18.17.24:25,THB:19:18:26.20.21:25,21:20:17:24.22.25,21:22:26.20.19:17,23:22:26.20.19:17|
Show InChI InChI=1S/C22H29FN4O4/c1-26-11-15-17(25-26)18(28)16(20(30)27(15)5-3-2-4-23)19(29)24-21-7-13-6-14(8-21)10-22(31,9-13)12-21/h11,13-14,28,31H,2-10,12H2,1H3,(H,24,29)
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PC cid
PC sid
UniChem
Article
PubMed
6.20n/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))
BDBM50541722
PNG
(CHEMBL4641997)
Show SMILES Cn1cc2n(CCCCF)c(=O)c(C(=O)NC34CC5CC(CC(O)(C5)C3)C4)c(O)c2n1 |TLB:19:20:18.17.24:25,THB:19:18:26.20.21:25,21:20:17:24.22.25,21:22:26.20.19:17,23:22:26.20.19:17|
Show InChI InChI=1S/C22H29FN4O4/c1-26-11-15-17(25-26)18(28)16(20(30)27(15)5-3-2-4-23)19(29)24-21-7-13-6-14(8-21)10-22(31,9-13)12-21/h11,13-14,28,31H,2-10,12H2,1H3,(H,24,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 590n/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