Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 11' and Ligand = 'BDBM503412'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM503412 ((4M)-2-(4-amino-4-methylpiperidin-1- yl)-5-(2-chlo...) Show SMILES COc1c(F)ccc(c1Cl)-c1c(C)nc(nc1C(N)=O)N1CCC(C)(N)CC1 |(-2.67,5.36,;-4,4.59,;-4,3.05,;-5.33,2.28,;-6.67,3.05,;-5.33,.74,;-4,-.03,;-2.67,.74,;-2.67,2.28,;-1.33,3.05,;-1.33,-.03,;,.74,;,2.28,;1.33,-.03,;1.33,-1.57,;,-2.34,;-1.33,-1.57,;-2.67,-2.34,;-2.67,-3.88,;-4,-1.57,;2.67,-2.34,;2.67,-3.88,;4,-4.65,;5.33,-3.88,;5.73,-5.36,;6.67,-3.11,;5.33,-2.34,;4,-1.57,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM503412 ((4M)-2-(4-amino-4-methylpiperidin-1- yl)-5-(2-chlo...) Show SMILES COc1c(F)ccc(c1Cl)-c1c(C)nc(nc1C(N)=O)N1CCC(C)(N)CC1 |(-2.67,5.36,;-4,4.59,;-4,3.05,;-5.33,2.28,;-6.67,3.05,;-5.33,.74,;-4,-.03,;-2.67,.74,;-2.67,2.28,;-1.33,3.05,;-1.33,-.03,;,.74,;,2.28,;1.33,-.03,;1.33,-1.57,;,-2.34,;-1.33,-1.57,;-2.67,-2.34,;-2.67,-3.88,;-4,-1.57,;2.67,-2.34,;2.67,-3.88,;4,-4.65,;5.33,-3.88,;5.73,-5.36,;6.67,-3.11,;5.33,-2.34,;4,-1.57,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM503412 ((4M)-2-(4-amino-4-methylpiperidin-1- yl)-5-(2-chlo...) Show SMILES COc1c(F)ccc(c1Cl)-c1c(C)nc(nc1C(N)=O)N1CCC(C)(N)CC1 |(-2.67,5.36,;-4,4.59,;-4,3.05,;-5.33,2.28,;-6.67,3.05,;-5.33,.74,;-4,-.03,;-2.67,.74,;-2.67,2.28,;-1.33,3.05,;-1.33,-.03,;,.74,;,2.28,;1.33,-.03,;1.33,-1.57,;,-2.34,;-1.33,-1.57,;-2.67,-2.34,;-2.67,-3.88,;-4,-1.57,;2.67,-2.34,;2.67,-3.88,;4,-4.65,;5.33,-3.88,;5.73,-5.36,;6.67,-3.11,;5.33,-2.34,;4,-1.57,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM503412 ((4M)-2-(4-amino-4-methylpiperidin-1- yl)-5-(2-chlo...) Show SMILES COc1c(F)ccc(c1Cl)-c1c(C)nc(nc1C(N)=O)N1CCC(C)(N)CC1 |(-2.67,5.36,;-4,4.59,;-4,3.05,;-5.33,2.28,;-6.67,3.05,;-5.33,.74,;-4,-.03,;-2.67,.74,;-2.67,2.28,;-1.33,3.05,;-1.33,-.03,;,.74,;,2.28,;1.33,-.03,;1.33,-1.57,;,-2.34,;-1.33,-1.57,;-2.67,-2.34,;-2.67,-3.88,;-4,-1.57,;2.67,-2.34,;2.67,-3.88,;4,-4.65,;5.33,-3.88,;5.73,-5.36,;6.67,-3.11,;5.33,-2.34,;4,-1.57,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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