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 = 'BDBM50118758'   

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))	BDBM50118758 (5-(3-Amino-phenyl)-3-(oxalyl-amino)-thiophene-2-ca...) Show SMILES Nc1cccc(c1)-c1cc(NC(=O)C(O)=O)c(s1)C(O)=O Show InChI InChI=1S/C13H10N2O5S/c14-7-3-1-2-6(4-7)9-5-8(10(21-9)12(17)18)15-11(16)13(19)20/h1-5H,14H2,(H,15,16)(H,17,18)(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Binding affinity to human recombinant PTP1B				Bioorg Med Chem Lett 20: 3329-37 (2010) Article DOI: 10.1016/j.bmcl.2010.04.033 BindingDB Entry DOI: 10.7270/Q27D2WCC
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50118758 (5-(3-Amino-phenyl)-3-(oxalyl-amino)-thiophene-2-ca...) Show SMILES Nc1cccc(c1)-c1cc(NC(=O)C(O)=O)c(s1)C(O)=O Show InChI InChI=1S/C13H10N2O5S/c14-7-3-1-2-6(4-7)9-5-8(10(21-9)12(17)18)15-11(16)13(19)20/h1-5H,14H2,(H,15,16)(H,17,18)(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to PTP1B				Bioorg Med Chem Lett 15: 5521-5 (2005) Article DOI: 10.1016/j.bmcl.2005.08.078 BindingDB Entry DOI: 10.7270/Q2TF0139
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50118758 (5-(3-Amino-phenyl)-3-(oxalyl-amino)-thiophene-2-ca...) Show SMILES Nc1cccc(c1)-c1cc(NC(=O)C(O)=O)c(s1)C(O)=O Show InChI InChI=1S/C13H10N2O5S/c14-7-3-1-2-6(4-7)9-5-8(10(21-9)12(17)18)15-11(16)13(19)20/h1-5H,14H2,(H,15,16)(H,17,18)(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory effect against recombinant human protein-tyrosine phosphatase 1B (PTP1B), using p-nitrophenyl phosphate substrate at pH 5.5.				J Med Chem 45: 4443-59 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GM5
					More data for this Ligand-Target Pair