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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 = 'BDBM76060'   
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))
BDBM76060
PNG
(3-[1-[oxo-(1-phenylcyclopropyl)methyl]-4-piperidin...)
Show SMILES O=C(N1CCC(CC1)n1nc(oc1=O)-c1ccccc1)C1(CC1)c1ccccc1
Show InChI InChI=1S/C23H23N3O3/c27-21(23(13-14-23)18-9-5-2-6-10-18)25-15-11-19(12-16-25)26-22(28)29-20(24-26)17-7-3-1-4-8-17/h1-10,19H,11-16H2
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.64E+3n/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))
BDBM76060
PNG
(3-[1-[oxo-(1-phenylcyclopropyl)methyl]-4-piperidin...)
Show SMILES O=C(N1CCC(CC1)n1nc(oc1=O)-c1ccccc1)C1(CC1)c1ccccc1
Show InChI InChI=1S/C23H23N3O3/c27-21(23(13-14-23)18-9-5-2-6-10-18)25-15-11-19(12-16-25)26-22(28)29-20(24-26)17-7-3-1-4-8-17/h1-10,19H,11-16H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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