BDBM50107743 [(4-{4-[4-(Difluoro-phosphono-methyl)-phenyl]-butyl}-phenyl)-difluoro-methyl]-phosphonic acid

SMILES: [O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1

InChI Key: InChIKey=SRHSAABKYJDBDV-UHFFFAOYSA-J

Data: 1 KI  6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50107743   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50107743 ([(4-{4-[4-(Difluoro-phosphono-methyl)-phenyl]-buty...) Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1 Show InChI InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)/p-4	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Binding affinity towards the site of PTP1B enzyme				J Med Chem 44: 4584-94 (2001) BindingDB Entry DOI: 10.7270/Q21Z455D
					More data for this Ligand-Target Pair				3D Structure (docked)
Leukocyte common antigen (Homo sapiens (Human))	BDBM50107743 ([(4-{4-[4-(Difluoro-phosphono-methyl)-phenyl]-buty...) Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1 Show InChI InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)/p-4	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.98E+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 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 (PTPβ) (Homo sapiens (Human))	BDBM50107743 ([(4-{4-[4-(Difluoro-phosphono-methyl)-phenyl]-buty...) Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1 Show InChI InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)/p-4	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.42E+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 PTPbeta.				J Med Chem 44: 4584-94 (2001) BindingDB Entry DOI: 10.7270/Q21Z455D
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50107743 ([(4-{4-[4-(Difluoro-phosphono-methyl)-phenyl]-buty...) Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1 Show InChI InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)/p-4	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	4.40E+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				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50107743 ([(4-{4-[4-(Difluoro-phosphono-methyl)-phenyl]-buty...) Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1 Show InChI InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)/p-4	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	9.10E+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
Protein-tyrosine phosphatase 1C (Homo sapiens (Human))	BDBM50107743 ([(4-{4-[4-(Difluoro-phosphono-methyl)-phenyl]-buty...) Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1 Show InChI InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)/p-4	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.10E+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-1.				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))	BDBM50107743 ([(4-{4-[4-(Difluoro-phosphono-methyl)-phenyl]-buty...) Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1 Show InChI InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)/p-4	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	6.40E+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