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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 = 'BDBM76063'   
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))
BDBM76063
PNG
(7-methyl-2-(4-methylphenyl)-4-phenyl-pyrazolo[3,4-...)
Show SMILES Cc1ccc(cc1)-n1cc2c(nnc(C)c2n1)-c1ccccc1
Show InChI InChI=1S/C19H16N4/c1-13-8-10-16(11-9-13)23-12-17-18(22-23)14(2)20-21-19(17)15-6-4-3-5-7-15/h3-12H,1-2H3
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.66E+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))
BDBM76063
PNG
(7-methyl-2-(4-methylphenyl)-4-phenyl-pyrazolo[3,4-...)
Show SMILES Cc1ccc(cc1)-n1cc2c(nnc(C)c2n1)-c1ccccc1
Show InChI InChI=1S/C19H16N4/c1-13-8-10-16(11-9-13)23-12-17-18(22-23)14(2)20-21-19(17)15-6-4-3-5-7-15/h3-12H,1-2H3
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