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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 = 'BDBM76084'   
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))
BDBM76084
PNG
((6Z)-6-[4-(4-methoxyphenyl)-5-methyl-1,2-dihydropy...)
Show SMILES COc1ccc(cc1)-c1c(C)[nH]nc1-c1ccc(OCCN2CCOCC2)cc1O
Show InChI InChI=1S/C23H27N3O4/c1-16-22(17-3-5-18(28-2)6-4-17)23(25-24-16)20-8-7-19(15-21(20)27)30-14-11-26-9-12-29-13-10-26/h3-8,15,27H,9-14H2,1-2H3,(H,24,25)
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.68E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC81B1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM76084
PNG
((6Z)-6-[4-(4-methoxyphenyl)-5-methyl-1,2-dihydropy...)
Show SMILES COc1ccc(cc1)-c1c(C)[nH]nc1-c1ccc(OCCN2CCOCC2)cc1O
Show InChI InChI=1S/C23H27N3O4/c1-16-22(17-3-5-18(28-2)6-4-17)23(25-24-16)20-8-7-19(15-21(20)27)30-14-11-26-9-12-29-13-10-26/h3-8,15,27H,9-14H2,1-2H3,(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2348HTX
More data for this
Ligand-Target Pair