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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 = 'BDBM76061'   
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))
BDBM76061
PNG
(4-(4-chlorophenyl)-7-methyl-2-phenyl-pyrazolo[3,4-...)
Show SMILES Cc1nnc(-c2ccc(Cl)cc2)c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C18H13ClN4/c1-12-17-16(11-23(22-17)15-5-3-2-4-6-15)18(21-20-12)13-7-9-14(19)10-8-13/h2-11H,1H3
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.58E+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))
BDBM76061
PNG
(4-(4-chlorophenyl)-7-methyl-2-phenyl-pyrazolo[3,4-...)
Show SMILES Cc1nnc(-c2ccc(Cl)cc2)c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C18H13ClN4/c1-12-17-16(11-23(22-17)15-5-3-2-4-6-15)18(21-20-12)13-7-9-14(19)10-8-13/h2-11H,1H3
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