Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 4'   

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 4 (Homo sapiens (Human))	BDBM50531902 (CHEMBL4569405) Show SMILES Oc1c2cc(CP(O)(=O)c3ccccc3)cc1S(=O)(=O)c1cc(CP(O)(=O)c3ccccc3)cc(c1O)S(=O)(=O)c1cc(CP(O)(=O)c3ccccc3)cc(c1O)S(=O)(=O)c1cc(CP(O)(=O)c3ccccc3)cc(c1O)S2(=O)=O Show InChI InChI=1S/C52H44O20P4S4/c53-49-41-21-33(29-73(57,58)37-13-5-1-6-14-37)22-42(49)78(67,68)44-24-35(31-75(61,62)39-17-9-3-10-18-39)26-46(51(44)55)80(71,72)48-28-36(32-76(63,64)40-19-11-4-12-20-40)27-47(52(48)56)79(69,70)45-25-34(23-43(50(45)54)77(41,65)66)30-74(59,60)38-15-7-2-8-16-38/h1-28,53-56H,29-32H2,(H,57,58)(H,59,60)(H,61,62)(H,63,64)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged MEG1 catalytic domain (637 to 926 residues) expressed in Escherichia coli using p-nitrophenol a...				Bioorg Med Chem Lett 29: 797-801 (2019) Article DOI: 10.1016/j.bmcl.2019.01.026 BindingDB Entry DOI: 10.7270/Q2NC64P6
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 4 (Homo sapiens (Human))	BDBM124261 (2-((5-Bromo-2-oxybenzylidene)amino)benzoato-diaqua...) Show SMILES [OH2+][V]12([OH2+])(=O)OC(=O)c3ccccc3[N]1=Cc1cc(ccc1O2)[N+]([O-])=O |c:15| Show InChI InChI=1S/C14H10N2O5.2H2O.O.V/c17-13-6-5-10(16(20)21)7-9(13)8-15-12-4-2-1-3-11(12)14(18)19;;;;/h1-8,17H,(H,18,19);2*1H2;;/q;;;;+4/p-2/b15-8+;;;;	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	7.2	n/a
Shanxi University					Assay Description The assays were performed in 20 mM MOPS buffer, pH 7.2, containing 50 mM NaCl and 2 mM GSH. Compounds were dissolved in DMSO and diluted to various c...				Dalton Trans 41: 11116-24 (2012) Article DOI: 10.1039/c2dt30198a BindingDB Entry DOI: 10.7270/Q2DZ070W
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 4 (Homo sapiens (Human))	BDBM124260 (2-((5-Bromo-2-oxybenzylidene)amino)benzoato-diaqua...) Show SMILES [OH2+][V]12([OH2+])(=O)OC(=O)c3ccccc3[N]1=Cc1cc(Br)ccc1O2 |c:15| Show InChI InChI=1S/C14H10BrNO3.2H2O.O.V/c15-10-5-6-13(17)9(7-10)8-16-12-4-2-1-3-11(12)14(18)19;;;;/h1-8,17H,(H,18,19);2*1H2;;/q;;;;+4/p-2/b16-8+;;;;	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	7.2	n/a
Shanxi University					Assay Description The assays were performed in 20 mM MOPS buffer, pH 7.2, containing 50 mM NaCl and 2 mM GSH. Compounds were dissolved in DMSO and diluted to various c...				Dalton Trans 41: 11116-24 (2012) Article DOI: 10.1039/c2dt30198a BindingDB Entry DOI: 10.7270/Q2DZ070W
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 4 (Homo sapiens (Human))	BDBM124263 (Bis(4-bromo-2-((phenylimino)methyl)phenolate)-oxov...) Show SMILES Brc1ccc2O[V]3(=O)(Oc4ccc(Br)cc4C=[N]3c3ccccc3)[N](=Cc2c1)c1ccccc1 |c:17,27| Show InChI InChI=1S/2C13H10BrNO.O.V/c2*14-11-6-7-13(16)10(8-11)9-15-12-4-2-1-3-5-12;;/h2*1-9,16H;;/q;;;+2/p-2/b2*15-9+;;	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	7.2	n/a
Shanxi University					Assay Description The assays were performed in 20 mM MOPS buffer, pH 7.2, containing 50 mM NaCl and 2 mM GSH. Compounds were dissolved in DMSO and diluted to various c...				Dalton Trans 41: 11116-24 (2012) Article DOI: 10.1039/c2dt30198a BindingDB Entry DOI: 10.7270/Q2DZ070W
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 4 (Homo sapiens (Human))	BDBM124264 (Bis(4-nitro-2-((phenylimino)methyl)phenolate)-oxov...) Show SMILES [O-][N+](=O)c1ccc2O[V]3(=O)(Oc4ccc(cc4C=[N]3c3ccccc3)[N+]([O-])=O)[N](=Cc2c1)c1ccccc1 |c:18,31| Show InChI InChI=1S/2C13H10N2O3.O.V/c2*16-13-7-6-12(15(17)18)8-10(13)9-14-11-4-2-1-3-5-11;;/h2*1-9,16H;;/q;;;+2/p-2/b2*14-9+;;	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	7.2	n/a
Shanxi University					Assay Description The assays were performed in 20 mM MOPS buffer, pH 7.2, containing 50 mM NaCl and 2 mM GSH. Compounds were dissolved in DMSO and diluted to various c...				Dalton Trans 41: 11116-24 (2012) Article DOI: 10.1039/c2dt30198a BindingDB Entry DOI: 10.7270/Q2DZ070W
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 4 (Homo sapiens (Human))	BDBM124262 (Bis(4-chloro-2-((phenylimino)methyl)phenolate)-oxo...) Show SMILES Clc1ccc2O[V]3(=O)(Oc4ccc(Cl)cc4C=[N]3c3ccccc3)[N](=Cc2c1)c1ccccc1 |c:17,27| Show InChI InChI=1S/2C13H10ClNO.O.V/c2*14-11-6-7-13(16)10(8-11)9-15-12-4-2-1-3-5-12;;/h2*1-9,16H;;/q;;;+2/p-2/b2*15-9+;;	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	7.2	n/a
Shanxi University					Assay Description The assays were performed in 20 mM MOPS buffer, pH 7.2, containing 50 mM NaCl and 2 mM GSH. Compounds were dissolved in DMSO and diluted to various c...				Dalton Trans 41: 11116-24 (2012) Article DOI: 10.1039/c2dt30198a BindingDB Entry DOI: 10.7270/Q2DZ070W
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 4 (Homo sapiens (Human))	BDBM50531901 (CHEMBL4540813) Show SMILES Oc1c2cc(CP(O)(=O)c3ccccc3)cc1sc1cc(CP(O)(=O)c3ccccc3)cc(sc3cc(CP(O)(=O)c4ccccc4)cc(sc4cc(CP(O)(=O)c5ccccc5)cc(s2)c4O)c3O)c1O Show InChI InChI=1S/C52H44O12P4S4/c53-49-41-21-33(29-65(57,58)37-13-5-1-6-14-37)22-42(49)70-44-24-35(31-67(61,62)39-17-9-3-10-18-39)26-46(51(44)55)72-48-28-36(32-68(63,64)40-19-11-4-12-20-40)27-47(52(48)56)71-45-25-34(23-43(69-41)50(45)54)30-66(59,60)38-15-7-2-8-16-38/h1-28,53-56H,29-32H2,(H,57,58)(H,59,60)(H,61,62)(H,63,64)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged MEG1 catalytic domain (637 to 926 residues) expressed in Escherichia coli using p-nitrophenol a...				Bioorg Med Chem Lett 29: 797-801 (2019) Article DOI: 10.1016/j.bmcl.2019.01.026 BindingDB Entry DOI: 10.7270/Q2NC64P6
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 4 (Homo sapiens (Human))	BDBM231167 (US9340574, 7) Show SMILES COc1cc(CC(=O)NCC(NC(=O)C(CCCNC(=O)c2cccc(I)c2)NC(=O)C(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)NC(=O)c2ccc(C)c(Br)c2)C(N)=O)ccc1O Show InChI InChI=1S/C42H45BrF2IN6O11P/c1-23-8-12-27(21-30(23)43)39(57)51-32(17-24-9-13-28(14-10-24)42(44,45)64(60,61)62)41(59)50-31(7-4-16-48-38(56)26-5-3-6-29(46)20-26)40(58)52-33(37(47)55)22-49-36(54)19-25-11-15-34(53)35(18-25)63-2/h3,5-6,8-15,18,20-21,31-33,53H,4,7,16-17,19,22H2,1-2H3,(H2,47,55)(H,48,56)(H,49,54)(H,50,59)(H,51,57)(H,52,58)(H2,60,61,62)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.0	n/a
Indiana University Research and Technology Corporation US Patent					Assay Description PTP activity was assayed using p-nitrophenyl phosphate (pNPP) as a substrate in 3,3-dimethylglutarate buffer (50 mM 3,3-dimethylglutarate, pH 7.0, 1 ...				US Patent US9340574 (2016) BindingDB Entry DOI: 10.7270/Q2NV9H4J
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 4 (Homo sapiens (Human))	BDBM50531903 (CHEMBL4530344) Show SMILES Oc1c2Cc3cc(CP(O)(=O)c4ccccc4)cc(Cc4cc(CP(O)(=O)c5ccccc5)cc(Cc5cc(CP(O)(=O)c6ccccc6)cc(Cc1cc(CP(O)(=O)c1ccccc1)c2)c5O)c4O)c3O Show InChI InChI=1S/C56H52O12P4/c57-53-41-21-37(33-69(61,62)49-13-5-1-6-14-49)22-42(53)30-44-24-39(35-71(65,66)51-17-9-3-10-18-51)26-46(55(44)59)32-48-28-40(36-72(67,68)52-19-11-4-12-20-52)27-47(56(48)60)31-45-25-38(23-43(29-41)54(45)58)34-70(63,64)50-15-7-2-8-16-50/h1-28,57-60H,29-36H2,(H,61,62)(H,63,64)(H,65,66)(H,67,68)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged MEG1 catalytic domain (637 to 926 residues) expressed in Escherichia coli using p-nitrophenol a...				Bioorg Med Chem Lett 29: 797-801 (2019) Article DOI: 10.1016/j.bmcl.2019.01.026 BindingDB Entry DOI: 10.7270/Q2NC64P6
					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