Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50135673'   

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 1 (Homo sapiens (Human))	BDBM50135673 (3-Diethylaminomethyl-pyrimido[5,4-e][1,2,4]triazin...) Show SMILES CCN(CC)Cc1nnc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C10H16N8/c1-3-18(4-2)5-6-13-7-8(11)14-10(12)15-9(7)17-16-6/h3-5H2,1-2H3,(H4,11,12,14,15,17)	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	2.90E+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))	BDBM50135673 (3-Diethylaminomethyl-pyrimido[5,4-e][1,2,4]triazin...) Show SMILES CCN(CC)Cc1nnc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C10H16N8/c1-3-18(4-2)5-6-13-7-8(11)14-10(12)15-9(7)17-16-6/h3-5H2,1-2H3,(H4,11,12,14,15,17)	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	2.90E+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))	BDBM50135673 (3-Diethylaminomethyl-pyrimido[5,4-e][1,2,4]triazin...) Show SMILES CCN(CC)Cc1nnc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C10H16N8/c1-3-18(4-2)5-6-13-7-8(11)14-10(12)15-9(7)17-16-6/h3-5H2,1-2H3,(H4,11,12,14,15,17)	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