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 = 'BDBM50135668'   

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))	BDBM50135668 (3-(4-Benzyl-piperazin-1-ylmethyl)-pyrimido[5,4-e][...) Show SMILES Nc1nc(N)c2nc(CN3CCN(Cc4ccccc4)CC3)nnc2n1 Show InChI InChI=1S/C17H21N9/c18-15-14-16(22-17(19)21-15)24-23-13(20-14)11-26-8-6-25(7-9-26)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H4,18,19,21,22,24)	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	6.20E+3	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))	BDBM50135668 (3-(4-Benzyl-piperazin-1-ylmethyl)-pyrimido[5,4-e][...) Show SMILES Nc1nc(N)c2nc(CN3CCN(Cc4ccccc4)CC3)nnc2n1 Show InChI InChI=1S/C17H21N9/c18-15-14-16(22-17(19)21-15)24-23-13(20-14)11-26-8-6-25(7-9-26)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H4,18,19,21,22,24)	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	6.20E+3	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))	BDBM50135668 (3-(4-Benzyl-piperazin-1-ylmethyl)-pyrimido[5,4-e][...) Show SMILES Nc1nc(N)c2nc(CN3CCN(Cc4ccccc4)CC3)nnc2n1 Show InChI InChI=1S/C17H21N9/c18-15-14-16(22-17(19)21-15)24-23-13(20-14)11-26-8-6-25(7-9-26)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H4,18,19,21,22,24)	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	9.80E+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