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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 = 'BDBM503309'   
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))
BDBM503309
PNG
(6-amino-2-[(1R)-1-amino-3,3- difluoro-8-azaspiro[4...)
Show SMILES N[C@@H]1CC(F)(F)CC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wD:1.0,(6.15,.34,;5.83,-1.16,;6.86,-2.31,;6.09,-3.64,;7.58,-4.04,;5.73,-5.14,;4.59,-3.32,;4.42,-1.79,;3.09,-2.56,;1.76,-1.79,;1.76,-.25,;3.09,.52,;4.42,-.25,;.42,.52,;.42,2.06,;-.91,2.83,;-.91,4.37,;-2.24,2.06,;-3.58,2.83,;-3.58,4.37,;-4.91,5.14,;-6.25,4.37,;-6.25,2.83,;-7.58,2.06,;-4.91,2.06,;-4.91,.52,;-2.24,.52,;-.91,-.25,;-3.33,-.57,;-2.74,-1.99,;-4.87,-.57,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 200n/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))
BDBM503309
PNG
(6-amino-2-[(1R)-1-amino-3,3- difluoro-8-azaspiro[4...)
Show SMILES N[C@@H]1CC(F)(F)CC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wD:1.0,(6.15,.34,;5.83,-1.16,;6.86,-2.31,;6.09,-3.64,;7.58,-4.04,;5.73,-5.14,;4.59,-3.32,;4.42,-1.79,;3.09,-2.56,;1.76,-1.79,;1.76,-.25,;3.09,.52,;4.42,-.25,;.42,.52,;.42,2.06,;-.91,2.83,;-.91,4.37,;-2.24,2.06,;-3.58,2.83,;-3.58,4.37,;-4.91,5.14,;-6.25,4.37,;-6.25,2.83,;-7.58,2.06,;-4.91,2.06,;-4.91,.52,;-2.24,.52,;-.91,-.25,;-3.33,-.57,;-2.74,-1.99,;-4.87,-.57,)|
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 200n/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