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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM76057'   
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 1


(Homo sapiens (Human))
BDBM76057
PNG
(3-[1-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-4-piper...)
Show SMILES O=C(Cc1ccc2OCOc2c1)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1
Show InChI InChI=1S/C22H21N3O5/c26-20(13-15-6-7-18-19(12-15)29-14-28-18)24-10-8-17(9-11-24)25-22(27)30-21(23-25)16-4-2-1-3-5-16/h1-7,12,17H,8-11,13-14H2
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.58E+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) Network...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K35S3P
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM76057
PNG
(3-[1-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-4-piper...)
Show SMILES O=C(Cc1ccc2OCOc2c1)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1
Show InChI InChI=1S/C22H21N3O5/c26-20(13-15-6-7-18-19(12-15)29-14-28-18)24-10-8-17(9-11-24)25-22(27)30-21(23-25)16-4-2-1-3-5-16/h1-7,12,17H,8-11,13-14H2
PDB

NCI pathway
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) Network...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TM78KV
More data for this
Ligand-Target Pair