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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 = 'BDBM76053'   
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))
BDBM76053
PNG
(3-[1-[2-(4-methylphenyl)-1-oxopropyl]-4-piperidiny...)
Show SMILES CC(C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C23H25N3O3/c1-16-8-10-18(11-9-16)17(2)22(27)25-14-12-20(13-15-25)26-23(28)29-21(24-26)19-6-4-3-5-7-19/h3-11,17,20H,12-15H2,1-2H3
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.29E+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))
BDBM76053
PNG
(3-[1-[2-(4-methylphenyl)-1-oxopropyl]-4-piperidiny...)
Show SMILES CC(C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C23H25N3O3/c1-16-8-10-18(11-9-16)17(2)22(27)25-14-12-20(13-15-25)26-23(28)29-21(24-26)19-6-4-3-5-7-19/h3-11,17,20H,12-15H2,1-2H3
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