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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 = 'BDBM76079'   
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))
BDBM76079
PNG
(6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyri...)
Show SMILES Cc1ccc2nc(cc(C(=O)Nc3ccc(cc3)S(=O)(=O)N3CCOCC3)c2c1)-c1ccccn1
Show InChI InChI=1S/C26H24N4O4S/c1-18-5-10-23-21(16-18)22(17-25(29-23)24-4-2-3-11-27-24)26(31)28-19-6-8-20(9-7-19)35(32,33)30-12-14-34-15-13-30/h2-11,16-17H,12-15H2,1H3,(H,28,31)
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>3.20E+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))
BDBM76079
PNG
(6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyri...)
Show SMILES Cc1ccc2nc(cc(C(=O)Nc3ccc(cc3)S(=O)(=O)N3CCOCC3)c2c1)-c1ccccn1
Show InChI InChI=1S/C26H24N4O4S/c1-18-5-10-23-21(16-18)22(17-25(29-23)24-4-2-3-11-27-24)26(31)28-19-6-8-20(9-7-19)35(32,33)30-12-14-34-15-13-30/h2-11,16-17H,12-15H2,1H3,(H,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

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