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 = 'BDBM50133281'   

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))	BDBM50133281 (5-(4-Bromo-phenyl)-isoxazole-3-carboxylic acid | C...) Show SMILES OC(=O)c1cc(on1)-c1ccc(Br)cc1 Show InChI InChI=1S/C10H6BrNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	8.00E+5	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Dissociation constant of the compound against Protein-tyrosine phosphatase 1B receptor was determined				J Med Chem 46: 4232-5 (2003) Article DOI: 10.1021/jm034122o BindingDB Entry DOI: 10.7270/Q2BP0264
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50133281 (5-(4-Bromo-phenyl)-isoxazole-3-carboxylic acid | C...) Show SMILES OC(=O)c1cc(on1)-c1ccc(Br)cc1 Show InChI InChI=1S/C10H6BrNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	8.00E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to N-terminal GST-fused human PTP1B (1 to 288 residues) expressed in Escherichia coli BL21(DE3) by HSQC NMR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00242 BindingDB Entry DOI: 10.7270/Q2KD22HB
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50133281 (5-(4-Bromo-phenyl)-isoxazole-3-carboxylic acid | C...) Show SMILES OC(=O)c1cc(on1)-c1ccc(Br)cc1 Show InChI InChI=1S/C10H6BrNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	8.00E+5	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Dissociation constant for Protein-tyrosine phosphatase 1B				J Med Chem 47: 3463-82 (2004) Article DOI: 10.1021/jm040031v BindingDB Entry DOI: 10.7270/Q2NC61ZJ
					More data for this Ligand-Target Pair				3D Structure (docked)