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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 = 'BDBM76052'   
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))
BDBM76052
PNG
(MLS-0226851.0001 | N-[4-(diethylsulfamoyl)phenyl]-...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2cccs2)cc1
Show InChI InChI=1S/C24H23N3O3S2/c1-3-27(4-2)32(29,30)18-13-11-17(12-14-18)25-24(28)20-16-22(23-10-7-15-31-23)26-21-9-6-5-8-19(20)21/h5-16H,3-4H2,1-2H3,(H,25,28)
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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))
BDBM76052
PNG
(MLS-0226851.0001 | N-[4-(diethylsulfamoyl)phenyl]-...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2cccs2)cc1
Show InChI InChI=1S/C24H23N3O3S2/c1-3-27(4-2)32(29,30)18-13-11-17(12-14-18)25-24(28)20-16-22(23-10-7-15-31-23)26-21-9-6-5-8-19(20)21/h5-16H,3-4H2,1-2H3,(H,25,28)
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