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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 = 'BDBM76078'   
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))
BDBM76078
PNG
(MLS-0205133.0001 | N-[4-(diethylsulfamoyl)phenyl]-...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C26H25N3O3S/c1-3-29(4-2)33(31,32)21-16-14-20(15-17-21)27-26(30)23-18-25(19-10-6-5-7-11-19)28-24-13-9-8-12-22(23)24/h5-18H,3-4H2,1-2H3,(H,27,30)
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>1.08E+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))
BDBM76078
PNG
(MLS-0205133.0001 | N-[4-(diethylsulfamoyl)phenyl]-...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C26H25N3O3S/c1-3-29(4-2)33(31,32)21-16-14-20(15-17-21)27-26(30)23-18-25(19-10-6-5-7-11-19)28-24-13-9-8-12-22(23)24/h5-18H,3-4H2,1-2H3,(H,27,30)
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