Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50008349   

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))	BDBM50072590 (CHEMBL109531 | Sodium; biphenyl-3-yl-difluoro-meth...) Show SMILES [O-]S(=O)(=O)C(F)(F)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C13H10F2O3S/c14-13(15,19(16,17)18)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,16,17,18)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Binding affinity against Protein tyrosine phosphatase-1B (PTP1B)				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072593 (5-(Biphenyl-3-yl-difluoro-methyl)-1-sodium-1H-tetr...) Show SMILES FC(F)(c1nn[n-]n1)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C14H9F2N4/c15-14(16,13-17-19-20-18-13)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) using fluorescein diphosphate as substrate at Km concentration (20 uM)				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072595 ((Biphenyl-3-yl-difluoro-methyl)-phosphonium | CHEM...) Show SMILES [O-]P([O-])(=O)OC(F)(F)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C13H11F2O4P/c14-13(15,19-20(16,17)18)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18)/p-2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibitory activity against PTP1B as a model Protein tyrosine transferase(PTP) using fluorescein diphosphate as substrate at Km concentration (20 uM)...				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072597 ((Difluoro-naphthalen-2-yl-methyl)-phosphonium | CH...) Show SMILES [O-]P([O-])(=O)OC(F)(F)c1ccc2ccccc2c1 Show InChI InChI=1S/C11H9F2O4P/c12-11(13,17-18(14,15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,14,15,16)/p-2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) using fluorescein diphosphate as substrate at Km concentration (20 uM)				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072590 (CHEMBL109531 | Sodium; biphenyl-3-yl-difluoro-meth...) Show SMILES [O-]S(=O)(=O)C(F)(F)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C13H10F2O3S/c14-13(15,19(16,17)18)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,16,17,18)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Binding affinity against Protein tyrosine phosphatase-1B (PTP1B)				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072598 (CHEMBL109646 | Sodium; difluoro-naphthalen-2-yl-me...) Show SMILES [O-]S(=O)(=O)C(F)(F)c1ccc2ccccc2c1 Show InChI InChI=1S/C11H8F2O3S/c12-11(13,17(14,15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,14,15,16)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.75E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) using fluorescein diphosphate as substrate at Km concentration (20 uM)				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072593 (5-(Biphenyl-3-yl-difluoro-methyl)-1-sodium-1H-tetr...) Show SMILES FC(F)(c1nn[n-]n1)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C14H9F2N4/c15-14(16,13-17-19-20-18-13)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.95E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) using fluorescein diphosphate as substrate at Km concentration (20 uM)				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072592 (1-Sodium-5-(difluoro-naphthalen-2-yl-methyl)-1H-te...) Show SMILES FC(F)(c1nn[n-]n1)c1ccc2ccccc2c1 Show InChI InChI=1S/C12H7F2N4/c13-12(14,11-15-17-18-16-11)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) using fluorescein diphosphate as substrate at Km concentration (20 uM)				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072591 (2-(Biphenyl-3-yloxy)-2-fluoro-malonic acid | CHEMB...) Show SMILES [O-]C(=O)C(F)(Oc1cccc(c1)-c1ccccc1)C([O-])=O Show InChI InChI=1S/C15H11FO5/c16-15(13(17)18,14(19)20)21-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,17,18)(H,19,20)/p-2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) using fluorescein diphosphate as substrate at Km concentration (20 uM)				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072596 (2-Fluoro-2-(naphthalen-2-yloxy)-malonic acid | CHE...) Show SMILES [O-]C(=O)C(F)(Oc1ccc2ccccc2c1)C([O-])=O Show InChI InChI=1S/C13H9FO5/c14-13(11(15)16,12(17)18)19-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,15,16)(H,17,18)/p-2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) using fluorescein diphosphate as substrate at Km concentration (20 uM)				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072594 (CHEMBL114030 | Sodium; biphenyl-3-yl-difluoro-acet...) Show SMILES [O-]C(=O)C(F)(F)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C14H10F2O2/c15-14(16,13(17)18)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,17,18)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) using fluorescein diphosphate as substrate at Km concentration (20 uM)				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072589 (CHEMBL110361 | Sodium; difluoro-naphthalen-2-yl-ac...) Show SMILES [O-]C(=O)C(F)(F)c1ccc2ccccc2c1 Show InChI InChI=1S/C12H8F2O2/c13-12(14,11(15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,15,16)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) using fluorescein diphosphate as substrate at Km concentration (20 uM)				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair