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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 = 'BDBM50541735'   
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))
BDBM50541735
PNG
(CHEMBL4641494)
Show SMILES Cn1cc2n(CCCCO)c(=O)c(C(=O)NC34CC5CC(CC(C5)C3)C4)c(O)c2n1 |TLB:19:20:18.17.23:24,THB:19:18:25.20.21:24,21:20:17:23.22.24,21:22:25.20.19:17|
Show InChI InChI=1S/C22H30N4O4/c1-25-12-16-18(24-25)19(28)17(21(30)26(16)4-2-3-5-27)20(29)23-22-9-13-6-14(10-22)8-15(7-13)11-22/h12-15,27-28H,2-11H2,1H3,(H,23,29)
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PC cid
PC sid
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Article
PubMed
14n/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))
BDBM50541735
PNG
(CHEMBL4641494)
Show SMILES Cn1cc2n(CCCCO)c(=O)c(C(=O)NC34CC5CC(CC(C5)C3)C4)c(O)c2n1 |TLB:19:20:18.17.23:24,THB:19:18:25.20.21:24,21:20:17:23.22.24,21:22:25.20.19:17|
Show InChI InChI=1S/C22H30N4O4/c1-25-12-16-18(24-25)19(28)17(21(30)26(16)4-2-3-5-27)20(29)23-22-9-13-6-14(10-22)8-15(7-13)11-22/h12-15,27-28H,2-11H2,1H3,(H,23,29)
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.45E+3n/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