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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 = 'BDBM76072'   
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))
BDBM76072
PNG
(4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyr...)
Show SMILES COc1ccc(cc1)-c1nnc(C)c2nn(cc12)-c1ccc(C)cc1
Show InChI InChI=1S/C20H18N4O/c1-13-4-8-16(9-5-13)24-12-18-19(23-24)14(2)21-22-20(18)15-6-10-17(25-3)11-7-15/h4-12H,1-3H3
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>1.56E+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))
BDBM76072
PNG
(4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyr...)
Show SMILES COc1ccc(cc1)-c1nnc(C)c2nn(cc12)-c1ccc(C)cc1
Show InChI InChI=1S/C20H18N4O/c1-13-4-8-16(9-5-13)24-12-18-19(23-24)14(2)21-22-20(18)15-6-10-17(25-3)11-7-15/h4-12H,1-3H3
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