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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 = 'BDBM76039'   
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))
BDBM76039
PNG
(2,3-dihydro-1,4-benzodioxin-6-yl-[4-(2-methyl-5,6,...)
Show SMILES Cc1nc(N2CCN(CC2)C(=O)c2ccc3OCCOc3c2)c2c3CCCCc3sc2n1
Show InChI InChI=1S/C24H26N4O3S/c1-15-25-22(21-17-4-2-3-5-20(17)32-23(21)26-15)27-8-10-28(11-9-27)24(29)16-6-7-18-19(14-16)31-13-12-30-18/h6-7,14H,2-5,8-13H2,1H3
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.36E+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))
BDBM76039
PNG
(2,3-dihydro-1,4-benzodioxin-6-yl-[4-(2-methyl-5,6,...)
Show SMILES Cc1nc(N2CCN(CC2)C(=O)c2ccc3OCCOc3c2)c2c3CCCCc3sc2n1
Show InChI InChI=1S/C24H26N4O3S/c1-15-25-22(21-17-4-2-3-5-20(17)32-23(21)26-15)27-8-10-28(11-9-27)24(29)16-6-7-18-19(14-16)31-13-12-30-18/h6-7,14H,2-5,8-13H2,1H3
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