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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 = 'BDBM68302'   
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))
BDBM68302
PNG
(MLS-0399818.0001 | [4-(2,3-dimethylphenyl)-1-piper...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)c1C
Show InChI InChI=1S/C23H29N3O4S/c1-18-5-3-8-22(19(18)2)24-9-11-25(12-10-24)23(27)20-6-4-7-21(17-20)31(28,29)26-13-15-30-16-14-26/h3-8,17H,9-16H2,1-2H3
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PC cid
PC sid
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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/Q2CV4G56
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM68302
PNG
(MLS-0399818.0001 | [4-(2,3-dimethylphenyl)-1-piper...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)c1C
Show InChI InChI=1S/C23H29N3O4S/c1-18-5-3-8-22(19(18)2)24-9-11-25(12-10-24)23(27)20-6-4-7-21(17-20)31(28,29)26-13-15-30-16-14-26/h3-8,17H,9-16H2,1-2H3
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) Net...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20P0XGZ
More data for this
Ligand-Target Pair