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Compile Data Set for Download or QSAR

Found 31 hits of ki for UniProtKB: P51452   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50303176
PNG
(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)
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809n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM199180
PNG
(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)
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US Patent
>1.00E+3>-8.18n/an/an/an/an/a7.025



Indiana University Research and Technology Corporation

US Patent


Assay 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 ...


US Patent US9217012 (2015)


BindingDB Entry DOI: 10.7270/Q2FX788H
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50303177
PNG
(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+
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1.76E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50303178
PNG
(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)
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1.86E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50303179
PNG
(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-
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2.01E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM11994
PNG
(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)
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2.09E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50303180
PNG
(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)
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2.64E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50303181
PNG
(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)
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2.94E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50303182
PNG
(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
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3.07E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM28851
PNG
(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-
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3.13E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50303184
PNG
(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-
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3.19E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50303185
PNG
((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)
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3.49E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM15186
PNG
(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)
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3.87E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50303186
PNG
((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+
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4.44E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50303187
PNG
(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+
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1.21E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM11985
PNG
(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)
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1.28E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50303188
PNG
(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+
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1.34E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50303190
PNG
(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)
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1.38E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50303189
PNG
(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
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1.38E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50303191
PNG
((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-
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1.58E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50303192
PNG
(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+
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1.59E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50303193
PNG
((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)
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1.62E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM26104
PNG
(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)
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>5.00E+4>-5.80n/an/an/an/an/a7.422



University of California Berkeley



Assay 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...


J Am Chem Soc 129: 9613-5 (2007)


Article DOI: 10.1021/ja0727520
BindingDB Entry DOI: 10.7270/Q2PG1Q2M
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50312261
PNG
((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)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human VHR


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50139372
PNG
(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
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2.90E+5n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Tested for effect of the compound on inhibition of Dual specificity protein phosphatase 3 and the value reported is overall equilibrium constant


Bioorg Med Chem Lett 14: 685-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.027
BindingDB Entry DOI: 10.7270/Q2416WHZ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50086647
PNG
(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
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5.70E+5n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against dual specificity phosphatase VHR


Bioorg Med Chem Lett 10: 457-60 (2000)


Article DOI: 10.1016/s0960-894x(00)00019-6
BindingDB Entry DOI: 10.7270/Q2J966W3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50086645
PNG
([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
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1.30E+6n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against dual specificity phosphatase VHR


Bioorg Med Chem Lett 10: 457-60 (2000)


Article DOI: 10.1016/s0960-894x(00)00019-6
BindingDB Entry DOI: 10.7270/Q2J966W3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50086644
PNG
([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
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2.60E+6n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against dual specificity phosphatase VHR


Bioorg Med Chem Lett 10: 457-60 (2000)


Article DOI: 10.1016/s0960-894x(00)00019-6
BindingDB Entry DOI: 10.7270/Q2J966W3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50086649
PNG
(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
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4.80E+6n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against dual specificity phosphatase VHR


Bioorg Med Chem Lett 10: 457-60 (2000)


Article DOI: 10.1016/s0960-894x(00)00019-6
BindingDB Entry DOI: 10.7270/Q2J966W3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50086646
PNG
(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
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5.70E+6n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against dual specificity phosphatase VHR


Bioorg Med Chem Lett 10: 457-60 (2000)


Article DOI: 10.1016/s0960-894x(00)00019-6
BindingDB Entry DOI: 10.7270/Q2J966W3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50086648
PNG
(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
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2.60E+7n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against dual specificity phosphatase VHR


Bioorg Med Chem Lett 10: 457-60 (2000)


Article DOI: 10.1016/s0960-894x(00)00019-6
BindingDB Entry DOI: 10.7270/Q2J966W3
More data for this
Ligand-Target Pair