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SMILES: C[C@@]1(N)CCCN(CC1)c1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 503406   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM503406 ((5P)-6-amino-2-[(4R)-4-amino-4- methylazepan-1-yl]...) Show SMILES C[C@@]1(N)CCCN(CC1)c1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl |r,wU:1.1,wD:1.0,(-2.2,-5.83,;-.72,-5.44,;-.72,-6.98,;.8,-5.72,;1.96,-4.72,;1.96,-3.18,;.67,-2.26,;-.82,-2.66,;-1.44,-4.07,;.67,-.72,;2,.05,;2,1.59,;3.33,2.36,;.67,2.36,;-.67,1.59,;-.67,.05,;-2,2.36,;-3.33,1.59,;-2,3.9,;.67,3.9,;-.67,4.67,;-.67,6.21,;.67,6.98,;2,6.21,;3.33,6.98,;2,4.67,;3.33,3.9,)| 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	71	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))	BDBM503406 ((5P)-6-amino-2-[(4R)-4-amino-4- methylazepan-1-yl]...) Show SMILES C[C@@]1(N)CCCN(CC1)c1nc(N)c(c(n1)C(N)=O)-c1cccc(Cl)c1Cl |r,wU:1.1,wD:1.0,(-2.2,-5.83,;-.72,-5.44,;-.72,-6.98,;.8,-5.72,;1.96,-4.72,;1.96,-3.18,;.67,-2.26,;-.82,-2.66,;-1.44,-4.07,;.67,-.72,;2,.05,;2,1.59,;3.33,2.36,;.67,2.36,;-.67,1.59,;-.67,.05,;-2,2.36,;-3.33,1.59,;-2,3.9,;.67,3.9,;-.67,4.67,;-.67,6.21,;.67,6.98,;2,6.21,;3.33,6.98,;2,4.67,;3.33,3.9,)| 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	71	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