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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 = 'BDBM503328'   
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))
BDBM503328
PNG
(2-(3-Amino-cyclohexyl-amino)-5- (2,3-dichloro-phen...)
Show SMILES Cc1nc(NC2CCCC(N)C2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl |(-2.7,2.87,;-1.93,1.54,;-.39,1.54,;.38,.2,;1.92,.2,;3.25,.97,;2.86,2.46,;3.95,3.55,;5.43,3.15,;5.83,1.67,;7.32,1.27,;4.74,.58,;-.39,-1.13,;-1.93,-1.13,;-2.7,-2.46,;-1.61,-3.55,;-4.24,-2.46,;-2.7,.2,;-4.24,.2,;-5.01,-1.13,;-6.55,-1.13,;-7.32,.2,;-6.55,1.54,;-7.32,2.87,;-5.01,1.54,;-4.24,2.87,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 360n/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))
BDBM503328
PNG
(2-(3-Amino-cyclohexyl-amino)-5- (2,3-dichloro-phen...)
Show SMILES Cc1nc(NC2CCCC(N)C2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl |(-2.7,2.87,;-1.93,1.54,;-.39,1.54,;.38,.2,;1.92,.2,;3.25,.97,;2.86,2.46,;3.95,3.55,;5.43,3.15,;5.83,1.67,;7.32,1.27,;4.74,.58,;-.39,-1.13,;-1.93,-1.13,;-2.7,-2.46,;-1.61,-3.55,;-4.24,-2.46,;-2.7,.2,;-4.24,.2,;-5.01,-1.13,;-6.55,-1.13,;-7.32,.2,;-6.55,1.54,;-7.32,2.87,;-5.01,1.54,;-4.24,2.87,)|
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 360n/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