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SMILES: Nc1nc(N)c2nc(CN3CCCCC3)nnc2n1

InChI Key: InChIKey=KHTKOASOSWSGJF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50135669   

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 1 (Homo sapiens (Human))	BDBM50135669 (3-Piperidin-1-ylmethyl-pyrimido[5,4-e][1,2,4]triaz...) Show SMILES Nc1nc(N)c2nc(CN3CCCCC3)nnc2n1 Show InChI InChI=1S/C11H16N8/c12-9-8-10(16-11(13)15-9)18-17-7(14-8)6-19-4-2-1-3-5-19/h1-6H2,(H4,12,13,15,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Protein-tyrosine phosphatase 1B in 300 nM DTT				Bioorg Med Chem Lett 13: 2895-8 (2003) BindingDB Entry DOI: 10.7270/Q21V5DDS
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50135669 (3-Piperidin-1-ylmethyl-pyrimido[5,4-e][1,2,4]triaz...) Show SMILES Nc1nc(N)c2nc(CN3CCCCC3)nnc2n1 Show InChI InChI=1S/C11H16N8/c12-9-8-10(16-11(13)15-9)18-17-7(14-8)6-19-4-2-1-3-5-19/h1-6H2,(H4,12,13,15,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Protein-tyrosine phosphatase 1B in 2 mM DTT				Bioorg Med Chem Lett 13: 2895-8 (2003) BindingDB Entry DOI: 10.7270/Q21V5DDS
					More data for this Ligand-Target Pair