Compile Data Set for Download or QSAR
Found 920 Enz. Inhib. hit(s) with Target = 'Dual specificity protein phosphatase 3'
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50303176(2-((Z)-4-oxo-5-((E)-3-phenylallylidene)-2-thioxoth...)
Show SMILES OS(=O)(=O)CCn1nc(C=CCc2ccccc2)sc1=S
Show InChI InChI=1S/C13H14N2O3S3/c16-21(17,18)10-9-15-13(19)20-12(14-15)8-4-7-11-5-2-1-3-6-11/h1-6,8H,7,9-10H2,(H,16,17,18)
Affinity DataKi:  809nMAssay Description:Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studiesMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM199180(US9217012, 10)
Show SMILES CCc1ccc(cc1)C(=O)NCCCCC(NC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)C(Cc1ccccc1)NC(=O)COC1CC(C)CCC1C(C)C)C(N)=O
Show InChI InChI=1S/C46H62F2N5O9P/c1-5-31-15-19-34(20-16-31)43(56)50-24-10-9-13-37(42(49)55)52-45(58)39(27-33-17-21-35(22-18-33)46(47,48)63(59,60)61)53-44(57)38(26-32-11-7-6-8-12-32)51-41(54)28-62-40-25-30(4)14-23-36(40)29(2)3/h6-8,11-12,15-22,29-30,36-40H,5,9-10,13-14,23-28H2,1-4H3,(H2,49,55)(H,50,56)(H,51,54)(H,52,58)(H,53,57)(H2,59,60,61)
Affinity DataKi: >1.00E+3nM ΔG°: >-34.2kJ/molepH: 7.0 T: 2°CAssay Description:PTP activity was assayed using p-nitrophenyl phosphate (pNPP) as a substrate in DMG buffer (50 mM DMG, pH 7.0, 1 mM EDTA, 150 mM NaCl, 2 mM DTT, 0.1 ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50303177(CHEMBL565369 | N-(4-(benzo[d]oxazol-2-yl)phenyl)-3...)
Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(\C=C\C(=O)Nc2ccc(cc2)-c2nc3ccccc3o2)o1
Show InChI InChI=1S/C26H17N3O5/c30-25(16-14-19-13-15-23(33-19)20-5-1-3-7-22(20)29(31)32)27-18-11-9-17(10-12-18)26-28-21-6-2-4-8-24(21)34-26/h1-16H,(H,27,30)/b16-14+
Affinity DataKi:  1.76E+3nMAssay Description:Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studiesMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50303178(5-((5-(4-nitrophenyl)furan-2-yl)methylene)-4-thiox...)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(o1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H8N2O4S2/c17-14-15-13(21)12(22-14)7-10-5-6-11(20-10)8-1-3-9(4-2-8)16(18)19/h1-7H,(H,15,17,21)
Affinity DataKi:  1.86E+3nMAssay Description:Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studiesMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50303179(2-(4-oxo-5-(3-phenylallylidene)-2-thioxothiazolidi...)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/C=C/c2ccccc2)C1=O
Show InChI InChI=1S/C21H17NO3S2/c23-19-18(13-7-12-15-8-3-1-4-9-15)27-21(26)22(19)17(20(24)25)14-16-10-5-2-6-11-16/h1-13,17H,14H2,(H,24,25)/b12-7+,18-13-
Affinity DataKi:  2.01E+3nMAssay Description:Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studiesMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM11994(2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl...)
Show SMILES Cc1ccc(C)n1-c1ccc(SCC(O)=O)cc1
Show InChI InChI=1S/C14H15NO2S/c1-10-3-4-11(2)15(10)12-5-7-13(8-6-12)18-9-14(16)17/h3-8H,9H2,1-2H3,(H,16,17)
Affinity DataKi:  2.09E+3nMAssay Description:Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studiesMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50303180(CHEMBL577311 | ethyl 5-(4-bromophenyl)-4,6-dioxo-2...)
Show SMILES CCOC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccc(Br)cc1
Show InChI InChI=1S/C14H10BrN3O4/c1-2-22-14(21)11-9-10(16-17-11)13(20)18(12(9)19)8-5-3-7(15)4-6-8/h3-6H,2H2,1H3,(H,16,17)
Affinity DataKi:  2.64E+3nMAssay Description:Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studiesMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50303181(1-(dibenzo[b,d]furan-3-yl)-3-(naphthalen-1-yl)thio...)
Show SMILES S=C(Nc1ccc2c(c1)oc1ccccc21)Nc1cccc2ccccc12
Show InChI InChI=1S/C23H16N2OS/c27-23(25-20-10-5-7-15-6-1-2-8-17(15)20)24-16-12-13-19-18-9-3-4-11-21(18)26-22(19)14-16/h1-14H,(H2,24,25,27)
Affinity DataKi:  2.94E+3nMAssay Description:Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studiesMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50303182(1,4-dimethoxyanthracene-9,10-dione | CHEMBL570408 ...)
Show SMILES COc1ccc(OC)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C16H12O4/c1-19-11-7-8-12(20-2)14-13(11)15(17)9-5-3-4-6-10(9)16(14)18/h3-8H,1-2H3
Affinity DataKi:  3.07E+3nMAssay Description:Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studiesMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM28851(2-[(5Z)-5-{[5-(3-chlorophenyl)furan-2-yl]methylide...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C16H12ClNO5S3/c17-11-3-1-2-10(8-11)13-5-4-12(23-13)9-14-15(19)18(16(24)25-14)6-7-26(20,21)22/h1-5,8-9H,6-7H2,(H,20,21,22)/b14-9-
Affinity DataKi:  3.13E+3nMAssay Description:Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studiesMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50303184(5-((5-(2-bromo-4,5-dimethylphenyl)furan-2-yl)methy...)
Show SMILES Cc1cc(Br)c(cc1C)-c1ccc(\C=C2/NC(=S)NC2=O)o1
Show InChI InChI=1S/C16H13BrN2O2S/c1-8-5-11(12(17)6-9(8)2)14-4-3-10(21-14)7-13-15(20)19-16(22)18-13/h3-7H,1-2H3,(H2,18,19,20,22)/b13-7-
Affinity DataKi:  3.19E+3nMAssay Description:Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studiesMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50303185((E/Z)-5-((1H-pyrrol-2-yl)methylene)-1-(3-chlorophe...)
Show SMILES Clc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccc[nH]2)C1=O
Show InChI InChI=1S/C15H10ClN3O2S/c16-9-3-1-5-11(7-9)19-14(21)12(13(20)18-15(19)22)8-10-4-2-6-17-10/h1-8,17H,(H,18,20,22)
Affinity DataKi:  3.49E+3nMAssay Description:Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studiesMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM15186(4-(5-{[(5E)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cy...)
Show SMILES Cc1c(C#N)c(N)[nH]c2c(C#N)c(=C)c(=Cc3ccc(o3)-c3ccc(C(O)=O)c(Cl)c3)c12
Show InChI InChI=1S/C24H15ClN4O3/c1-11-16(21-12(2)18(10-27)23(28)29-22(21)17(11)9-26)8-14-4-6-20(32-14)13-3-5-15(24(30)31)19(25)7-13/h3-8,29H,1,28H2,2H3,(H,30,31)
Affinity DataKi:  3.87E+3nMAssay Description:Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studiesMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50303186((E/Z)-5-((5-iodofuran-2-yl)methylene)-1-(4-methoxy...)
Show SMILES COc1ccc(cc1)N1C(=S)NC(=O)\C(=C/c2ccc(I)o2)C1=O
Show InChI InChI=1S/C16H11IN2O4S/c1-22-10-4-2-9(3-5-10)19-15(21)12(14(20)18-16(19)24)8-11-6-7-13(17)23-11/h2-8H,1H3,(H,18,20,24)/b12-8+
Affinity DataKi:  4.44E+3nMAssay Description:Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studiesMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50303187(5-((5-bromofuran-2-yl)methylene)-1-(4-fluorophenyl...)
Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)\C(=C/c2ccc(Br)o2)C1=O
Show InChI InChI=1S/C15H8BrFN2O3S/c16-12-6-5-10(22-12)7-11-13(20)18-15(23)19(14(11)21)9-3-1-8(17)2-4-9/h1-7H,(H,18,20,23)/b11-7+
Affinity DataKi:  1.21E+4nMAssay Description:Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studiesMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM11985(4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-hydroxybenzoic a...)
Show SMILES Cc1ccc(C)n1-c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-11(13(16)17)12(15)7-10/h3-7,15H,1-2H3,(H,16,17)
Affinity DataKi:  1.28E+4nMAssay Description:Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studiesMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50303188(4-chloro-N-(2,3,5-trichloro-4-oxocyclohexa-2,5-die...)
Show SMILES ClC1=C\C(=N/S(=O)(=O)c2ccc(Cl)cc2)C(Cl)=C(Cl)C1=O
Show InChI InChI=1S/C12H5Cl4NO3S/c13-6-1-3-7(4-2-6)21(19,20)17-9-5-8(14)12(18)11(16)10(9)15/h1-5H/b17-9+
Affinity DataKi:  1.34E+4nMAssay Description:Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studiesMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50303190(3-(5-((2-(5-nitropyridin-2-yl)hydrazono)methyl)fur...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(CN=Nc2ccc(cn2)[N+]([O-])=O)o1
Show InChI InChI=1S/C17H12N4O5/c22-17(23)12-3-1-2-11(8-12)15-6-5-14(26-15)10-19-20-16-7-4-13(9-18-16)21(24)25/h1-9H,10H2,(H,22,23)
Affinity DataKi:  1.38E+4nMAssay Description:Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studiesMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50303189(5,5-dihydroxy-4H-pyrido[3,2,1-jk]carbazole-4,6(5H)...)
Show SMILES OC1(O)C(=O)c2cccc3c4ccccc4n(C1=O)c23
Show InChI InChI=1S/C15H9NO4/c17-13-10-6-3-5-9-8-4-1-2-7-11(8)16(12(9)10)14(18)15(13,19)20/h1-7,19-20H
Affinity DataKi:  1.38E+4nMAssay Description:Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studiesMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50303191((E/Z)-1-allyl-5-(3-(furan-2-yl)allylidene)-2-thiox...)
Show SMILES C=CCN1C(=S)NC(=O)\C(=C\C=C\c2ccco2)C1=O
Show InChI InChI=1S/C14H12N2O3S/c1-2-8-16-13(18)11(12(17)15-14(16)20)7-3-5-10-6-4-9-19-10/h2-7,9H,1,8H2,(H,15,17,20)/b5-3+,11-7-
Affinity DataKi:  1.58E+4nMAssay Description:Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studiesMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50303192(1-(5-(3,4-dichlorophenyl)furan-2-yl)-5-(furan-2-yl...)
Show SMILES Clc1ccc(cc1Cl)-c1ccc(\C=C\C(=O)\C=C\c2ccco2)o1
Show InChI InChI=1S/C19H12Cl2O3/c20-17-9-3-13(12-18(17)21)19-10-8-16(24-19)7-5-14(22)4-6-15-2-1-11-23-15/h1-12H/b6-4+,7-5+
Affinity DataKi:  1.59E+4nMAssay Description:Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studiesMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50303193((E/Z)-4-(5-((1-(3-bromophenyl)-2,4,6-trioxotetrahy...)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(Br)c2)o1
Show InChI InChI=1S/C22H13BrN2O6/c23-14-2-1-3-15(10-14)25-20(27)17(19(26)24-22(25)30)11-16-8-9-18(31-16)12-4-6-13(7-5-12)21(28)29/h1-11H,(H,28,29)(H,24,26,30)
Affinity DataKi:  1.62E+4nMAssay Description:Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studiesMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM26104(5-{2-cyclohexyl-4-[4-fluoro-3-(trifluoromethyl)phe...)
Show SMILES OC(=O)c1cc(on1)-c1ccc(cc1C1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H19F4NO3/c24-19-9-7-15(11-18(19)23(25,26)27)14-6-8-16(21-12-20(22(29)30)28-31-21)17(10-14)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,29,30)
Affinity DataKi: >5.00E+4nM ΔG°: >-24.3kJ/molepH: 7.4 T: 2°CAssay Description:The reaction was started by addition of pNPP substrate, and reaction progress was monitored at 405 nm. The initial rate data collected was used for d...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50312261((4-(4-bromo-3,5-bis(trifluoromethyl)phenylcarbamoy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1cc(c(Br)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H9BrF8NO4P/c17-12-10(14(18,19)20)5-9(6-11(12)15(21,22)23)26-13(27)7-1-3-8(4-2-7)16(24,25)31(28,29)30/h1-6H,(H,26,27)(H2,28,29,30)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human VHRMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50139372(4-((S)-(S)-1-Carbamoyl-3-carboxy-propylcarbamoyl)-...)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)c1ccc(\C=C\C=O)cc1
Show InChI InChI=1S/C22H26N4O9/c23-20(33)15(7-9-18(29)30)26-22(35)16(8-10-19(31)32)25-17(28)12-24-21(34)14-5-3-13(4-6-14)2-1-11-27/h1-6,11,15-16H,7-10,12H2,(H2,23,33)(H,24,34)(H,25,28)(H,26,35)(H,29,30)(H,31,32)/b2-1+/t15-,16-/m0/s1
Affinity DataKi:  2.90E+5nMAssay Description:Tested for effect of the compound on inhibition of Dual specificity protein phosphatase 3 and the value reported is overall equilibrium constantMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50086647(hydrogen (1-phenanthryloxy)methylphosphonate)
Show SMILES OP([O-])(=O)COc1cccc2c1ccc1ccccc21
Show InChI InChI=1S/C15H13O4P/c16-20(17,18)10-19-15-7-3-6-13-12-5-2-1-4-11(12)8-9-14(13)15/h1-9H,10H2,(H2,16,17,18)/p-1
Affinity DataKi:  5.70E+5nMAssay Description:Compound was evaluated for the inhibition constant against dual specificity phosphatase VHRMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50086645([4-(4-hydroxybenzyl)phenoxy]methylphosphonate)
Show SMILES Oc1ccc(Cc2ccc(OCP([O-])([O-])=O)cc2)cc1
Show InChI InChI=1S/C14H15O5P/c15-13-5-1-11(2-6-13)9-12-3-7-14(8-4-12)19-10-20(16,17)18/h1-8,15H,9-10H2,(H2,16,17,18)/p-2
Affinity DataKi:  1.30E+6nMAssay Description:Compound was evaluated for the inhibition constant against dual specificity phosphatase VHRMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50086644([4-(carboxymethyl)phenoxy]methylphosphonate)
Show SMILES OC(=O)Cc1ccc(OCP([O-])([O-])=O)cc1
Show InChI InChI=1S/C9H11O6P/c10-9(11)5-7-1-3-8(4-2-7)15-6-16(12,13)14/h1-4H,5-6H2,(H,10,11)(H2,12,13,14)/p-2
Affinity DataKi:  2.60E+6nMAssay Description:Compound was evaluated for the inhibition constant against dual specificity phosphatase VHRMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50086649(hydrogen (1-naphthyloxy)methylphosphonate)
Show SMILES OP([O-])(=O)COc1cccc2ccccc12
Show InChI InChI=1S/C11H11O4P/c12-16(13,14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H2,12,13,14)/p-1
Affinity DataKi:  4.80E+6nMAssay Description:Compound was evaluated for the inhibition constant against dual specificity phosphatase VHRMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50086646(hydrogen (2-naphthyloxy)methylphosphonate)
Show SMILES OP([O-])(=O)COc1ccc2ccccc2c1
Show InChI InChI=1S/C11H11O4P/c12-16(13,14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H2,12,13,14)/p-1
Affinity DataKi:  5.70E+6nMAssay Description:Compound was evaluated for the inhibition constant against dual specificity phosphatase VHRMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50086648(phenoxymethylphosphonate)
Show SMILES [O-]P([O-])(=O)COc1ccccc1
Show InChI InChI=1S/C7H9O4P/c8-12(9,10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)/p-2
Affinity DataKi:  2.60E+7nMAssay Description:Compound was evaluated for the inhibition constant against dual specificity phosphatase VHRMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM28879(2-[(5Z)-5-[(3-{4-[(4-chlorophenyl)methoxy]phenyl}-...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22ClN3O5S3/c29-22-10-6-19(7-11-22)18-37-24-12-8-20(9-13-24)26-21(17-32(30-26)23-4-2-1-3-5-23)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
Affinity DataIC50: 18nMAssay Description:Inhibition of recombinant vaccina H1-related phosphataseMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM46229(4-chloranyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCSc2ccccc12
Show InChI InChI=1S/C16H15ClN2O3S2/c17-12-6-5-10(9-15(12)24(18,21)22)16(20)19-13-7-8-23-14-4-2-1-3-11(13)14/h1-6,9,13H,7-8H2,(H,19,20)(H2,18,21,22)
Affinity DataIC50: 65nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50303173(2-(5-((3-(4-(2-chlorobenzyloxy)phenyl)-1-phenyl-1H...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3Cl)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22ClN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
Affinity DataIC50: 71nMAssay Description:Inhibition of recombinant vaccina H1-related phosphataseMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50303174(2-(5-((3-(4-(2-fluorobenzyloxy)phenyl)-1-phenyl-1H...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3F)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22FN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
Affinity DataIC50: 74nMAssay Description:Inhibition of recombinant vaccina H1-related phosphataseMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50303174(2-(5-((3-(4-(2-fluorobenzyloxy)phenyl)-1-phenyl-1H...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3F)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22FN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
Affinity DataIC50: 74nMAssay Description:Inhibition of VHRMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM50303175(2-(5-((3-(4-(benzyloxy)phenyl)-1-phenyl-1H-pyrazol...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H23N3O5S3/c32-27-25(38-28(37)30(27)15-16-39(33,34)35)17-22-18-31(23-9-5-2-6-10-23)29-26(22)21-11-13-24(14-12-21)36-19-20-7-3-1-4-8-20/h1-14,17-18H,15-16,19H2,(H,33,34,35)/b25-17-
Affinity DataIC50: 78nMAssay Description:Inhibition of recombinant vaccina H1-related phosphataseMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM46229(4-chloranyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCSc2ccccc12
Show InChI InChI=1S/C16H15ClN2O3S2/c17-12-6-5-10(9-15(12)24(18,21)22)16(20)19-13-7-8-23-14-4-2-1-3-11(13)14/h1-6,9,13H,7-8H2,(H,19,20)(H2,18,21,22)
Affinity DataIC50: 121nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM46223((4Z)-2-methoxy-4-[piperidin-1-yl(sulfanyl)methylid...)
Show SMILES COc1cc(ccc1O)C(=S)N1CCCCC1
Show InChI InChI=1S/C13H17NO2S/c1-16-12-9-10(5-6-11(12)15)13(17)14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8H2,1H3
Affinity DataIC50: 127nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM88754(MLS000401595 | N-[3-[(2-methoxyphenyl)sulfamoyl]-4...)
Show SMILES COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2sccc2C)ccc1N1CCCC1
Show InChI InChI=1S/C23H25N3O4S2/c1-16-11-14-31-22(16)23(27)24-17-9-10-19(26-12-5-6-13-26)21(15-17)32(28,29)25-18-7-3-4-8-20(18)30-2/h3-4,7-11,14-15,25H,5-6,12-13H2,1-2H3,(H,24,27)
Affinity DataIC50: 163nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM46133((7Z)-3-bromanyl-7-[(2-chlorophenyl)methylidene]-[1...)
Show SMILES Clc1ccccc1\C=c1/sc2nc3cc(Br)cnc3n2c1=O
Show InChI InChI=1S/C15H7BrClN3OS/c16-9-6-11-13(18-7-9)20-14(21)12(22-15(20)19-11)5-8-3-1-2-4-10(8)17/h1-7H/b12-5-
Affinity DataIC50: 181nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM46286((4E)-4-[[[4-fluoranyl-3-(trifluoromethyl)phenyl]me...)
Show SMILES COc1cc(ccc1O)C(=S)NCc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H13F4NO2S/c1-23-14-7-10(3-5-13(14)22)15(24)21-8-9-2-4-12(17)11(6-9)16(18,19)20/h2-7,22H,8H2,1H3,(H,21,24)
Affinity DataIC50: 220nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM34408(4-amino-3-(4-methylphenyl)-5-[(4-methyl-1-piperazi...)
Show SMILES CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccc(C)cc1
Show InChI InChI=1S/C16H20N4OS2/c1-11-3-5-12(6-4-11)20-14(17)13(23-16(20)22)15(21)19-9-7-18(2)8-10-19/h3-6H,7-10,17H2,1-2H3
Affinity DataIC50: 250nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM28884(2-[(5Z)-4-oxo-5-({1-phenyl-3-[4-(piperidine-1-sulf...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(cc2)S(=O)(=O)N2CCCCC2)-c2ccccc2)C1=O
Show InChI InChI=1S/C26H26N4O6S4/c31-25-23(38-26(37)29(25)15-16-39(32,33)34)17-20-18-30(21-7-3-1-4-8-21)27-24(20)19-9-11-22(12-10-19)40(35,36)28-13-5-2-6-14-28/h1,3-4,7-12,17-18H,2,5-6,13-16H2,(H,32,33,34)/b23-17-
Affinity DataIC50: 270nMAssay Description:Inhibition of recombinant vaccina H1-related phosphataseMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM46222(3-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylbutyl)...)
Show SMILES COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
Show InChI InChI=1S/C21H34ClN3OS/c1-15(2)8-13-25(18-9-11-24(12-10-18)16(3)4)21(27)23-17-6-7-20(26-5)19(22)14-17/h6-7,14-16,18H,8-13H2,1-5H3,(H,23,27)
Affinity DataIC50: 271nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM31759(2-[5-[(Z)-(3-bromanyl-8-oxidanylidene-[1,3]thiazol...)
Show SMILES OC(=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
Show InChI InChI=1S/C20H10BrN3O4S/c21-10-7-14-17(22-9-10)24-18(25)16(29-20(24)23-14)8-11-5-6-15(28-11)12-3-1-2-4-13(12)19(26)27/h1-9H,(H,26,27)/b16-8-
Affinity DataIC50: 308nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM51776(MLS000683996 | N-(3-carbamoyl-6-methyl-4,5,6,7-tet...)
Show SMILES COC(=O)Nc1sc2CC(C)CCc2c1C(N)=O
Show InChI InChI=1S/C12H16N2O3S/c1-6-3-4-7-8(5-6)18-11(9(7)10(13)15)14-12(16)17-2/h6H,3-5H2,1-2H3,(H2,13,15)(H,14,16)
Affinity DataIC50: 312nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM46223((4Z)-2-methoxy-4-[piperidin-1-yl(sulfanyl)methylid...)
Show SMILES COc1cc(ccc1O)C(=S)N1CCCCC1
Show InChI InChI=1S/C13H17NO2S/c1-16-12-9-10(5-6-11(12)15)13(17)14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8H2,1H3
Affinity DataIC50: 331nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM34462((3,4-dichlorophenyl)-[4-(2-hydroxyethyl)-1-piperaz...)
Show SMILES OCCN1CCN(CC1)C(=S)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H16Cl2N2OS/c14-11-2-1-10(9-12(11)15)13(19)17-5-3-16(4-6-17)7-8-18/h1-2,9,18H,3-8H2
Affinity DataIC50: 339nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute for Medical Research

Curated by ChEMBL
LigandPNGBDBM80129((4-chlorophenyl)-(4-ethyl-1-piperazinyl)methanethi...)
Show SMILES CCN1CCN(CC1)C(=S)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H17ClN2S/c1-2-15-7-9-16(10-8-15)13(17)11-3-5-12(14)6-4-11/h3-6H,2,7-10H2,1H3
Affinity DataIC50: 341nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
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