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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 = 'BDBM50324662'   
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))
BDBM50324662
PNG
(1-But-3-enyl-6-furan-2-yl-4-oxo-1,4-dihydro-quinol...)
Show SMILES C=CCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccco1 |TLB:13:14:18:12.11.17,THB:13:12:18:14.19.15,15:14:11:16.18.17,15:16:11:14.19.13|
Show InChI InChI=1S/C28H30N2O3/c1-2-3-8-30-17-23(26(31)22-13-21(6-7-24(22)30)25-5-4-9-33-25)27(32)29-28-14-18-10-19(15-28)12-20(11-18)16-28/h2,4-7,9,13,17-20H,1,3,8,10-12,14-16H2,(H,29,32)
PDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
BindingDB Entry DOI: 10.7270/Q2PC33BG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324662
PNG
(1-But-3-enyl-6-furan-2-yl-4-oxo-1,4-dihydro-quinol...)
Show SMILES C=CCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccco1 |TLB:13:14:18:12.11.17,THB:13:12:18:14.19.15,15:14:11:16.18.17,15:16:11:14.19.13|
Show InChI InChI=1S/C28H30N2O3/c1-2-3-8-30-17-23(26(31)22-13-21(6-7-24(22)30)25-5-4-9-33-25)27(32)29-28-14-18-10-19(15-28)12-20(11-18)16-28/h2,4-7,9,13,17-20H,1,3,8,10-12,14-16H2,(H,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair