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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM86999'   
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 1


(Homo sapiens (Human))
BDBM86999
PNG
((2,2-diphenyl-[1,3]dioxolo[4,5-c]pyridin-6-yl)-pip...)
Show SMILES O=C(N1CCCCC1)c1cc2OC(Oc2cn1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H22N2O3/c27-23(26-14-8-3-9-15-26)20-16-21-22(17-25-20)29-24(28-21,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
13n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
BindingDB Entry DOI: 10.7270/Q26H4G0Z
More data for this
Ligand-Target Pair