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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 = 'BDBM76069'   
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))
BDBM76069
PNG
(2-(4-chlorophenyl)-4-(4-methoxyphenyl)-7-methyl-py...)
Show SMILES COc1ccc(cc1)-c1nnc(C)c2nn(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O/c1-12-18-17(11-24(23-18)15-7-5-14(20)6-8-15)19(22-21-12)13-3-9-16(25-2)10-4-13/h3-11H,1-2H3
PDB

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KEGG

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.47E+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))
BDBM76069
PNG
(2-(4-chlorophenyl)-4-(4-methoxyphenyl)-7-methyl-py...)
Show SMILES COc1ccc(cc1)-c1nnc(C)c2nn(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O/c1-12-18-17(11-24(23-18)15-7-5-14(20)6-8-15)19(22-21-12)13-3-9-16(25-2)10-4-13/h3-11H,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