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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 = 'BDBM76082'   
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))
BDBM76082
PNG
((6Z)-3-ethoxy-6-[4-(4-methoxyphenyl)-5-methyl-1,2-...)
Show SMILES CCOc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)cc2)c(O)c1
Show InChI InChI=1S/C19H20N2O3/c1-4-24-15-9-10-16(17(22)11-15)19-18(12(2)20-21-19)13-5-7-14(23-3)8-6-13/h5-11,22H,4H2,1-3H3,(H,20,21)
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 3.79E+3n/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))
BDBM76082
PNG
((6Z)-3-ethoxy-6-[4-(4-methoxyphenyl)-5-methyl-1,2-...)
Show SMILES CCOc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)cc2)c(O)c1
Show InChI InChI=1S/C19H20N2O3/c1-4-24-15-9-10-16(17(22)11-15)19-18(12(2)20-21-19)13-5-7-14(23-3)8-6-13/h5-11,22H,4H2,1-3H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.16E+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