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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'G-protein coupled receptor 55' and Ligand = 'BDBM61452'   
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
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61452
PNG
((5E)-1-allyl-5-[[4-(4-pyridylmethyl)anilino]methyl...)
Show SMILES C=CCN1C(=S)NC(=O)C(=CNc2ccc(Cc3ccncc3)cc2)C1=O |w:10.10|
Show InChI InChI=1S/C20H18N4O2S/c1-2-11-24-19(26)17(18(25)23-20(24)27)13-22-16-5-3-14(4-6-16)12-15-7-9-21-10-8-15/h2-10,13,22H,1,11-12H2,(H,23,25,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 543n/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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2348HSG
More data for this
Ligand-Target Pair