Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 550.3 BDBM50107739

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 8 hits in this display   

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))	BDBM50107739 (CHEMBL140954 | [(4-{4-[4-(Difluoro-phosphono-methy...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)cc2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-5-1-15(2-6-17)13-33-19-9-11-20(12-10-19)34-14-16-3-7-18(8-4-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32)	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	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B).				J Med Chem 44: 4584-94 (2001) BindingDB Entry DOI: 10.7270/Q21Z455D
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50107739 (CHEMBL140954 | [(4-{4-[4-(Difluoro-phosphono-methy...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)cc2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-5-1-15(2-6-17)13-33-19-9-11-20(12-10-19)34-14-16-3-7-18(8-4-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibitory activity against Protein tyrosine phosphatase TCPTP.				J Med Chem 44: 4584-94 (2001) BindingDB Entry DOI: 10.7270/Q21Z455D
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6 (Homo sapiens (Human))	BDBM50107739 (CHEMBL140954 | [(4-{4-[4-(Difluoro-phosphono-methy...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)cc2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-5-1-15(2-6-17)13-33-19-9-11-20(12-10-19)34-14-16-3-7-18(8-4-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibitory activity against Protein tyrosine phosphatase SHP-1.				J Med Chem 44: 4584-94 (2001) BindingDB Entry DOI: 10.7270/Q21Z455D
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C (Homo sapiens (Human))	BDBM50107739 (CHEMBL140954 | [(4-{4-[4-(Difluoro-phosphono-methy...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)cc2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-5-1-15(2-6-17)13-33-19-9-11-20(12-10-19)34-14-16-3-7-18(8-4-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibitory activity against Protein tyrosine phosphatase CD45.				J Med Chem 44: 4584-94 (2001) BindingDB Entry DOI: 10.7270/Q21Z455D
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50107739 (CHEMBL140954 | [(4-{4-[4-(Difluoro-phosphono-methy...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)cc2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-5-1-15(2-6-17)13-33-19-9-11-20(12-10-19)34-14-16-3-7-18(8-4-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibitory activity against Protein tyrosine phosphatase PTPbeta.				J Med Chem 44: 4584-94 (2001) BindingDB Entry DOI: 10.7270/Q21Z455D
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50107739 (CHEMBL140954 | [(4-{4-[4-(Difluoro-phosphono-methy...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)cc2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-5-1-15(2-6-17)13-33-19-9-11-20(12-10-19)34-14-16-3-7-18(8-4-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32)	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	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibitory activity against Protein tyrosine phosphatase SHP-2.				J Med Chem 44: 4584-94 (2001) BindingDB Entry DOI: 10.7270/Q21Z455D
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50107739 (CHEMBL140954 | [(4-{4-[4-(Difluoro-phosphono-methy...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)cc2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-5-1-15(2-6-17)13-33-19-9-11-20(12-10-19)34-14-16-3-7-18(8-4-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibitory activity against Protein tyrosine phosphatase cell division cycle 25A				J Med Chem 44: 4584-94 (2001) BindingDB Entry DOI: 10.7270/Q21Z455D
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 4 (Homo sapiens (Human))	BDBM50107739 (CHEMBL140954 | [(4-{4-[4-(Difluoro-phosphono-methy...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(COc2ccc(OCc3ccc(cc3)C(F)(F)P(O)(O)=O)cc2)cc1 Show InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-5-1-15(2-6-17)13-33-19-9-11-20(12-10-19)34-14-16-3-7-18(8-4-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.46E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibitory activity against Protein tyrosine phosphatase PTPmeg-1.				J Med Chem 44: 4584-94 (2001) BindingDB Entry DOI: 10.7270/Q21Z455D
					More data for this Ligand-Target Pair