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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 11' and Ligand = 'BDBM503312'   
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
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM503312
PNG
(6-amino-2-[8-(aminomethyl)-6- azaspiro[3.4]octan-6...)
Show SMILES NCC1CN(CC11CCC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |(6.3,-.49,;5.67,-1.9,;4.14,-2.06,;3.11,-.92,;1.7,-1.54,;1.86,-3.08,;3.37,-3.4,;2.82,-4.83,;4.26,-5.39,;4.81,-3.95,;.37,-.77,;.37,.77,;-.96,1.54,;-.96,3.08,;-2.3,.77,;-3.63,1.54,;-4.96,.77,;-6.3,1.54,;-6.3,3.08,;-4.96,3.85,;-4.96,5.39,;-3.63,3.08,;-2.3,3.85,;-2.3,-.77,;-.96,-1.54,;-3.63,-1.54,;-3.63,-3.08,;-4.96,-.77,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 590n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2JS9VKW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM503312
PNG
(6-amino-2-[8-(aminomethyl)-6- azaspiro[3.4]octan-6...)
Show SMILES NCC1CN(CC11CCC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |(6.3,-.49,;5.67,-1.9,;4.14,-2.06,;3.11,-.92,;1.7,-1.54,;1.86,-3.08,;3.37,-3.4,;2.82,-4.83,;4.26,-5.39,;4.81,-3.95,;.37,-.77,;.37,.77,;-.96,1.54,;-.96,3.08,;-2.3,.77,;-3.63,1.54,;-4.96,.77,;-6.3,1.54,;-6.3,3.08,;-4.96,3.85,;-4.96,5.39,;-3.63,3.08,;-2.3,3.85,;-2.3,-.77,;-.96,-1.54,;-3.63,-1.54,;-3.63,-3.08,;-4.96,-.77,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 590n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2930X9N
More data for this
Ligand-Target Pair