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Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'sierecki' and Initial = 'e'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328826
PNG
(5-((E)-(4-((E)-(2,4-diamino-5-methylphenyl)diazeny...)
Show SMILES Cc1cc(N=Nc2ccc(cc2)N=Nc2ccc(O)c(c2)C(O)=O)c(N)cc1N |w:13.14,5.5|
Show InChI InChI=1S/C20H18N6O3/c1-11-8-18(17(22)10-16(11)21)26-24-13-4-2-12(3-5-13)23-25-14-6-7-19(27)15(9-14)20(28)29/h2-10,27H,21-22H2,1H3,(H,28,29)
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n/an/a 3.75E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328821
PNG
(1-amino-9,10-dioxo-4-(3-sulfamoylphenylamino)-9,10...)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc(c2)S(N)(=O)=O)cc1S(O)(=O)=O
Show InChI InChI=1S/C20H15N3O7S2/c21-18-15(32(28,29)30)9-14(23-10-4-3-5-11(8-10)31(22,26)27)16-17(18)20(25)13-7-2-1-6-12(13)19(16)24/h1-9,23H,21H2,(H2,22,26,27)(H,28,29,30)
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328818
PNG
(6-methoxy-N-(2-(piperidin-2-yl)ethyl)quinolin-8-am...)
Show SMILES COc1cc(NCCC2CCCCN2)c2ncccc2c1
Show InChI InChI=1S/C17H23N3O/c1-21-15-11-13-5-4-9-20-17(13)16(12-15)19-10-7-14-6-2-3-8-18-14/h4-5,9,11-12,14,18-19H,2-3,6-8,10H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328820
PNG
(1-((4-methoxyphenylamino)methyl)naphthalen-2-ol | ...)
Show SMILES COc1ccc(NCc2c(O)ccc3ccccc23)cc1
Show InChI InChI=1S/C18H17NO2/c1-21-15-9-7-14(8-10-15)19-12-17-16-5-3-2-4-13(16)6-11-18(17)20/h2-11,19-20H,12H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50172540
PNG
([2-(4-Amino-benzoyloxy)-ethyl]-dimethyl-ammonium)
Show SMILES C[NH+](C)CCOC(=O)c1ccc(N)cc1
Show InChI InChI=1S/C11H16N2O2/c1-13(2)7-8-15-11(14)9-3-5-10(12)6-4-9/h3-6H,7-8,12H2,1-2H3/p+1
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328824
PNG
(1,3-di(1H-indazol-6-yl)thiourea | CHEMBL1269022 | ...)
Show SMILES S=C(Nc1ccc2c[nH]nc2c1)Nc1ccc2c[nH]nc2c1
Show InChI InChI=1S/C15H12N6S/c22-15(18-11-3-1-9-7-16-20-13(9)5-11)19-12-4-2-10-8-17-21-14(10)6-12/h1-8H,(H,16,20)(H,17,21)(H2,18,19,22)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328822
PNG
(4-((3-hydroxypyridin-2-yl)diazenyl)benzenesulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1ncccc1O |w:10.10|
Show InChI InChI=1S/C11H10N4O3S/c12-19(17,18)9-5-3-8(4-6-9)14-15-11-10(16)2-1-7-13-11/h1-7,16H,(H2,12,17,18)
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50246208
PNG
(2-(3,4,5-trihydroxy-6-oxo-6H-xanthen-9-yl)cyclohex...)
Show SMILES OC(=O)C1CCCCC1c1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12
Show InChI InChI=1S/C20H18O7/c21-13-7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(22)17(24)19(12)27-18(11)16(13)23/h5-10,21,23-24H,1-4H2,(H,25,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM25462
PNG
(2,3-dinitro-9H-fluoren-9-one | NSC133896)
Show SMILES [O-][N+](=O)c1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O
Show InChI InChI=1S/C13H6N2O5/c16-13-8-4-2-1-3-7(8)9-5-11(14(17)18)12(15(19)20)6-10(9)13/h1-6H
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM54340
PNG
(4-[4-(3-chlorophenyl)-1-piperazinyl]-3-methylisoxa...)
Show SMILES Cc1noc2ncnc(N3CCN(CC3)c3cccc(Cl)c3)c12
Show InChI InChI=1S/C16H16ClN5O/c1-11-14-15(18-10-19-16(14)23-20-11)22-7-5-21(6-8-22)13-4-2-3-12(17)9-13/h2-4,9-10H,5-8H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328827
PNG
(5-((E)-(4-((E)-(2,4-diamino-5-methyl-3-((E)-(4-met...)
Show SMILES Cc1ccc(N=Nc2c(N)c(C)cc(N=Nc3ccc(cc3)N=Nc3ccc(O)c(c3)C(O)=O)c2N)c(c1)S(O)(=O)=O |w:23.24,15.15,6.6|
Show InChI InChI=1S/C27H24N8O6S/c1-14-3-9-20(23(11-14)42(39,40)41)33-35-26-24(28)15(2)12-21(25(26)29)34-31-17-6-4-16(5-7-17)30-32-18-8-10-22(36)19(13-18)27(37)38/h3-13,36H,28-29H2,1-2H3,(H,37,38)(H,39,40,41)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328823
PNG
(5,5'-(3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)dif...)
Show SMILES OS(=O)(=O)c1ccc(o1)-c1nnc(nc1-c1ccc(o1)S(O)(=O)=O)-c1ccccn1
Show InChI InChI=1S/C16H10N4O8S2/c21-29(22,23)12-6-4-10(27-12)14-15(11-5-7-13(28-11)30(24,25)26)19-20-16(18-14)9-3-1-2-8-17-9/h1-8H,(H,21,22,23)(H,24,25,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328819
PNG
(4-bromobenzenesulfonic(8S,9S,10R,13S,14S,17S)-10,1...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)OS(=O)(=O)c1ccc(Br)cc1 |r,t:8|
Show InChI InChI=1S/C26H31BrO5S/c1-25-13-11-18(28)15-16(25)3-8-20-21-9-10-23(26(21,2)14-12-22(20)25)24(29)32-33(30,31)19-6-4-17(27)5-7-19/h4-7,15,20-23H,3,8-14H2,1-2H3/t20-,21-,22-,23+,25-,26-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328828
PNG
(8-amino-5-((E)-(4'-((E)-(4-amino-6-(methylsulfonyl...)
Show SMILES CS(=O)(=O)c1ccc2c(ccc(N)c2c1)\N=N\c1ccc(cc1)-c1ccc(cc1)\N=N\c1ccc(N)c2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C33H26N6O5S2/c1-45(40,41)24-10-12-26-28(18-24)30(34)14-16-32(26)38-36-22-6-2-20(3-7-22)21-4-8-23(9-5-21)37-39-33-17-15-31(35)29-19-25(46(42,43)44)11-13-27(29)33/h2-19H,34-35H2,1H3,(H,42,43,44)/b38-36+,39-37+
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328829
PNG
(5-(4'-((2,4-diamino-5-((4-sulfophenyl)diazenyl)phe...)
Show SMILES Nc1cc(N)c(cc1N=Nc1ccc(cc1)-c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O)N=Nc1ccc(cc1)S(O)(=O)=O |w:23.26,9.10,34.37|
Show InChI InChI=1S/C31H24N8O6S/c32-26-16-27(33)29(39-36-22-9-12-24(13-10-22)46(43,44)45)17-28(26)38-35-21-7-3-19(4-8-21)18-1-5-20(6-2-18)34-37-23-11-14-30(40)25(15-23)31(41)42/h1-17,40H,32-33H2,(H,41,42)(H,43,44,45)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328830
PNG
(2-hydroxy-3-((4-(N-thiazol-2-ylsulfamoyl)phenyl)di...)
Show SMILES OC(=O)c1c(O)c(cc2ccccc12)\N=N\c1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C20H14N4O5S2/c25-18-16(11-12-3-1-2-4-15(12)17(18)19(26)27)23-22-13-5-7-14(8-6-13)31(28,29)24-20-21-9-10-30-20/h1-11,25H,(H,21,24)(H,26,27)/b23-22+
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328831
PNG
(2-hydroxy-5-((E)-(2-methoxy-4-((E)-(4-sulfophenyl)...)
Show SMILES COc1cc(ccc1N=Nc1ccc(O)c(c1)C(O)=O)N=Nc1ccc(cc1)S(O)(=O)=O |w:21.23,8.8|
Show InChI InChI=1S/C20H16N4O7S/c1-31-19-11-14(22-21-12-2-6-15(7-3-12)32(28,29)30)4-8-17(19)24-23-13-5-9-18(25)16(10-13)20(26)27/h2-11,25H,1H3,(H,26,27)(H,28,29,30)
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50079267
PNG
(Congo Red | Direct red 28 | Kongorot | Sodium diph...)
Show SMILES Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccc(cc1)-c1ccc(cc1)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O
Show InChI InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)/p-2/b37-35+,38-36+
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328832
PNG
(2-hydroxy-3-((4-(N-pyridin-2-ylsulfamoyl)phenyl)di...)
Show SMILES OC(=O)c1c(O)c(cc2ccccc12)\N=N\c1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C22H16N4O5S/c27-21-18(13-14-5-1-2-6-17(14)20(21)22(28)29)25-24-15-8-10-16(11-9-15)32(30,31)26-19-7-3-4-12-23-19/h1-13,27H,(H,23,26)(H,28,29)/b25-24+
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328833
PNG
(4-(6-chloro-2-methoxyacridin-9-ylamino)-2-hydroxyb...)
Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(C(O)=O)c(O)c3)c2c1
Show InChI InChI=1S/C21H15ClN2O4/c1-28-13-4-7-17-16(10-13)20(14-5-2-11(22)8-18(14)24-17)23-12-3-6-15(21(26)27)19(25)9-12/h2-10,25H,1H3,(H,23,24)(H,26,27)
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328834
PNG
(3-((4'-((6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)...)
Show SMILES COc1cc(ccc1N=Nc1cc(c2ccccc2c1O)S(O)(=O)=O)-c1ccc(N=Nc2c(O)c3ccc(N)cc3cc2S(O)(=O)=O)c(OC)c1 |w:30.33,8.8|
Show InChI InChI=1S/C34H27N5O10S2/c1-48-28-14-18(7-11-25(28)36-38-27-17-30(50(42,43)44)23-5-3-4-6-24(23)33(27)40)19-8-12-26(29(15-19)49-2)37-39-32-31(51(45,46)47)16-20-13-21(35)9-10-22(20)34(32)41/h3-17,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47)
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328825
PNG
(9-benzyl-6-(benzylthio)-9H-purin-2-amine | CHEMBL1...)
Show SMILES Nc1nc(SCc2ccccc2)c2ncn(Cc3ccccc3)c2n1
Show InChI InChI=1S/C19H17N5S/c20-19-22-17-16(18(23-19)25-12-15-9-5-2-6-10-15)21-13-24(17)11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H2,20,22,23)
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328835
PNG
(4-(4-acetamidophenylamino)-1-amino-9,10-dioxo-9,10...)
Show SMILES CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(O)(=O)=O)cc1
Show InChI InChI=1S/C22H17N3O6S/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31)
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n/an/a 4.10E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328836
PNG
(4-(6-chloro-2-methoxyacridin-9-ylamino)benzoic aci...)
Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(cc3)C(O)=O)c2c1
Show InChI InChI=1S/C21H15ClN2O3/c1-27-15-7-9-18-17(11-15)20(16-8-4-13(22)10-19(16)24-18)23-14-5-2-12(3-6-14)21(25)26/h2-11H,1H3,(H,23,24)(H,25,26)
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328837
PNG
(2-hydroxy-5-((4'-((1-hydroxy-3-(methylsulfonyl)-7-...)
Show SMILES CS(=O)(=O)c1cc2ccc(Nc3ccccc3)cc2c(O)c1N=Nc1ccc(cc1)-c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O |w:22.24,36.40|
Show InChI InChI=1S/C36H27N5O6S/c1-48(46,47)33-19-24-11-16-28(37-25-5-3-2-4-6-25)20-30(24)35(43)34(33)41-39-27-14-9-23(10-15-27)22-7-12-26(13-8-22)38-40-29-17-18-32(42)31(21-29)36(44)45/h2-21,37,42-43H,1H3,(H,44,45)
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n/an/a 4.90E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328838
PNG
(2-hydroxy-5-((4-(N-thiazol-2-ylsulfamoyl)phenyl)di...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 |w:11.12|
Show InChI InChI=1S/C16H12N4O5S2/c21-14-6-3-11(9-13(14)15(22)23)19-18-10-1-4-12(5-2-10)27(24,25)20-16-17-7-8-26-16/h1-9,21H,(H,17,20)(H,22,23)
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n/an/a 4.90E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328839
PNG
(2-hydroxy-5-((4'-((1-hydroxy-3-(methylsulfonyl)-6-...)
Show SMILES CS(=O)(=O)c1cc2cc(Nc3ccccc3)ccc2c(O)c1N=Nc1ccc(cc1)-c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O |w:22.24,36.40|
Show InChI InChI=1S/C36H27N5O6S/c1-48(46,47)33-20-24-19-28(37-25-5-3-2-4-6-25)15-17-30(24)35(43)34(33)41-39-27-13-9-23(10-14-27)22-7-11-26(12-8-22)38-40-29-16-18-32(42)31(21-29)36(44)45/h2-21,37,42-43H,1H3,(H,44,45)
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n/an/a 5.20E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328840
PNG
(5-amino-4-hydroxy-3-((4'-((1-hydroxy-4-sulfonaphth...)
Show SMILES Cc1cc(ccc1N=Nc1cc(c2ccccc2c1O)S(O)(=O)=O)-c1ccc(N=Nc2c(O)c3c(N)cc(cc3cc2S(O)(=O)=O)S(O)(=O)=O)c(C)c1 |w:7.7,29.32|
Show InChI InChI=1S/C34H27N5O11S3/c1-17-11-19(7-9-26(17)36-38-28-16-29(52(45,46)47)23-5-3-4-6-24(23)33(28)40)20-8-10-27(18(2)12-20)37-39-32-30(53(48,49)50)14-21-13-22(51(42,43)44)15-25(35)31(21)34(32)41/h3-16,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)
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n/an/a 5.80E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50190337
PNG
(5-{[4-(aminosulfonyl)phenyl]diazenyl}-2-hydroxyben...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O |w:10.10|
Show InChI InChI=1S/C13H11N3O5S/c14-22(20,21)10-4-1-8(2-5-10)15-16-9-3-6-12(17)11(7-9)13(18)19/h1-7,17H,(H,18,19)(H2,14,20,21)
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n/an/a 7.50E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328841
PNG
(5-amino-4-hydroxy-3-((4-(4-((2-hydroxy-8-sulfonaph...)
Show SMILES Nc1cc(cc2cc(c(N=Nc3ccc(cc3)S(=O)(=O)c3ccc(cc3)N=Nc3c(O)ccc4cccc(c34)S(O)(=O)=O)c(O)c12)S(O)(=O)=O)S(O)(=O)=O |w:9.8,26.27|
Show InChI InChI=1S/C32H23N5O13S4/c33-24-16-23(52(42,43)44)14-18-15-27(54(48,49)50)31(32(39)28(18)24)37-35-20-7-11-22(12-8-20)51(40,41)21-9-5-19(6-10-21)34-36-30-25(38)13-4-17-2-1-3-26(29(17)30)53(45,46)47/h1-16,38-39H,33H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)
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n/an/a 8.00E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2


(Homo sapiens (Human))
BDBM50328842
PNG
(2-hydroxy-3-methyl-5-((4-((4-sulfophenyl)diazenyl)...)
Show SMILES Cc1cc(cc(C(O)=O)c1O)N=Nc1ccc(cc1)N=Nc1ccc(cc1)S(O)(=O)=O |w:19.20,11.11|
Show InChI InChI=1S/C20H16N4O6S/c1-12-10-16(11-18(19(12)25)20(26)27)24-23-14-4-2-13(3-5-14)21-22-15-6-8-17(9-7-15)31(28,29)30/h2-11,25H,1H3,(H,26,27)(H,28,29,30)
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n/an/a 8.30E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli


J Med Chem 53: 6899-911 (2010)


Article DOI: 10.1021/jm100331d
BindingDB Entry DOI: 10.7270/Q2154H8Z
More data for this
Ligand-Target Pair
Transcription factor SOX-18


(Mus musculus (Mouse))
BDBM223293
PNG
(Sm4 | US20240002326, Compound Sm4)
Show SMILES OC(=O)c1c(O)cccc1CCc1ccc2ccccc2c1
Show InChI InChI=1S/C19H16O3/c20-17-7-3-6-15(18(17)19(21)22)11-9-13-8-10-14-4-1-2-5-16(14)12-13/h1-8,10,12,20H,9,11H2,(H,21,22)
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n/an/a 9.75E+4n/an/an/an/a7.537



The University of Queensland



Assay Description
The DNA-binding competition assay was performed in 25 μL, in black 384-well plates, using either 30 mM HEPES (N-2-Hydroxyethylpiperazine-N'-2-Etha...


Cell Chem Biol 24: 346-359 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.003
BindingDB Entry DOI: 10.7270/Q2MP5252
More data for this
Ligand-Target Pair
Transcription factor SOX-18


(Mus musculus (Mouse))
BDBM223299
PNG
(Sm14 | US20240002326, Compound Sm14)
Show SMILES Oc1ccc(\C=C2\SC(=NC2=O)N2CCCC2)c(O)c1 |c:8|
Show InChI InChI=1S/C14H14N2O3S/c17-10-4-3-9(11(18)8-10)7-12-13(19)15-14(20-12)16-5-1-2-6-16/h3-4,7-8,17-18H,1-2,5-6H2/b12-7+
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n/an/a 1.20E+5n/an/an/an/a7.537



The University of Queensland



Assay Description
The DNA-binding competition assay was performed in 25 μL, in black 384-well plates, using either 30 mM HEPES (N-2-Hydroxyethylpiperazine-N'-2-Etha...


Cell Chem Biol 24: 346-359 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.003
BindingDB Entry DOI: 10.7270/Q2MP5252
More data for this
Ligand-Target Pair
Transcription factor SOX-18


(Mus musculus (Mouse))
BDBM22971
PNG
(2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
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n/an/a 1.63E+5n/an/an/an/a7.537



The University of Queensland



Assay Description
The DNA-binding competition assay was performed in 25 μL, in black 384-well plates, using either 30 mM HEPES (N-2-Hydroxyethylpiperazine-N'-2-Etha...


Cell Chem Biol 24: 346-359 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.003
BindingDB Entry DOI: 10.7270/Q2MP5252
More data for this
Ligand-Target Pair
Transcription factor SOX-18


(Mus musculus (Mouse))
BDBM17636
PNG
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
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n/an/a 2.20E+5n/an/an/an/a7.537



The University of Queensland



Assay Description
The DNA-binding competition assay was performed in 25 μL, in black 384-well plates, using either 30 mM HEPES (N-2-Hydroxyethylpiperazine-N'-2-Etha...


Cell Chem Biol 24: 346-359 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.003
BindingDB Entry DOI: 10.7270/Q2MP5252
More data for this
Ligand-Target Pair
Transcription factor SOX-18


(Mus musculus (Mouse))
BDBM223295
PNG
(Sm8 | US20240002326, Compound Sm8)
Show SMILES COc1cccc(CCCCCCc2ccccc2)c1C(O)=O
Show InChI InChI=1S/C20H24O3/c1-23-18-15-9-14-17(19(18)20(21)22)13-8-3-2-5-10-16-11-6-4-7-12-16/h4,6-7,9,11-12,14-15H,2-3,5,8,10,13H2,1H3,(H,21,22)
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n/an/a 3.27E+5n/an/an/an/a7.537



The University of Queensland



Assay Description
The DNA-binding competition assay was performed in 25 μL, in black 384-well plates, using either 30 mM HEPES (N-2-Hydroxyethylpiperazine-N'-2-Etha...


Cell Chem Biol 24: 346-359 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.003
BindingDB Entry DOI: 10.7270/Q2MP5252
More data for this
Ligand-Target Pair
Transcription factor SOX-18


(Mus musculus (Mouse))
BDBM50259931
PNG
(6-Tridecylsalicylic acid (Sm2) | 6-tridecyl phenol...)
Show SMILES CCCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(21)19(17)20(22)23/h13,15-16,21H,2-12,14H2,1H3,(H,22,23)
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n/an/a 3.41E+5n/an/an/an/a7.537



The University of Queensland



Assay Description
The DNA-binding competition assay was performed in 25 μL, in black 384-well plates, using either 30 mM HEPES (N-2-Hydroxyethylpiperazine-N'-2-Etha...


Cell Chem Biol 24: 346-359 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.003
BindingDB Entry DOI: 10.7270/Q2MP5252
More data for this
Ligand-Target Pair
Transcription factor SOX-18


(Mus musculus (Mouse))
BDBM223292
PNG
(6-Undecylsalicylic acid (Sm1) | US20240002326, Com...)
Show SMILES CCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(19)17(15)18(20)21/h11,13-14,19H,2-10,12H2,1H3,(H,20,21)
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n/an/a 3.48E+5n/an/an/an/a7.537



The University of Queensland



Assay Description
The DNA-binding competition assay was performed in 25 μL, in black 384-well plates, using either 30 mM HEPES (N-2-Hydroxyethylpiperazine-N'-2-Etha...


Cell Chem Biol 24: 346-359 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.003
BindingDB Entry DOI: 10.7270/Q2MP5252
More data for this
Ligand-Target Pair
Transcription factor SOX-18


(Mus musculus (Mouse))
BDBM85507
PNG
(CAS_4394-00-7 | NSC_4488 | Niflumic acid | Niflumi...)
Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
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PubMed
n/an/a 3.75E+5n/an/an/an/a7.537



The University of Queensland



Assay Description
The DNA-binding competition assay was performed in 25 μL, in black 384-well plates, using either 30 mM HEPES (N-2-Hydroxyethylpiperazine-N'-2-Etha...


Cell Chem Biol 24: 346-359 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.003
BindingDB Entry DOI: 10.7270/Q2MP5252
More data for this
Ligand-Target Pair
Transcription factor SOX-18


(Mus musculus (Mouse))
BDBM223298
PNG
(Sm13 | US20240002326, Compound Sm13)
Show SMILES Cc1cccc2c1oc1cc(O)cc(O)c1c2=O
Show InChI InChI=1S/C14H10O4/c1-7-3-2-4-9-13(17)12-10(16)5-8(15)6-11(12)18-14(7)9/h2-6,15-16H,1H3
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n/an/a 4.81E+5n/an/an/an/a7.537



The University of Queensland



Assay Description
The DNA-binding competition assay was performed in 25 μL, in black 384-well plates, using either 30 mM HEPES (N-2-Hydroxyethylpiperazine-N'-2-Etha...


Cell Chem Biol 24: 346-359 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.003
BindingDB Entry DOI: 10.7270/Q2MP5252
More data for this
Ligand-Target Pair
Transcription factor SOX-18


(Mus musculus (Mouse))
BDBM223294
PNG
(Sm5)
Show SMILES OC(=O)c1c(O)cccc1COCCC1CC=CC=C1 |c:17,19|
Show InChI InChI=1S/C16H18O4/c17-14-8-4-7-13(15(14)16(18)19)11-20-10-9-12-5-2-1-3-6-12/h1-5,7-8,12,17H,6,9-11H2,(H,18,19)
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n/an/a 1.11E+6n/an/an/an/a7.537



The University of Queensland



Assay Description
The DNA-binding competition assay was performed in 25 μL, in black 384-well plates, using either 30 mM HEPES (N-2-Hydroxyethylpiperazine-N'-2-Etha...


Cell Chem Biol 24: 346-359 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.003
BindingDB Entry DOI: 10.7270/Q2MP5252
More data for this
Ligand-Target Pair
Transcription factor SOX-18


(Mus musculus (Mouse))
BDBM223297
PNG
(Sm12 | US20240002326, Compound Sm12)
Show SMILES Oc1ccc(C(=O)COc2ccc3ccccc3c2)c(O)c1
Show InChI InChI=1S/C18H14O4/c19-14-6-8-16(17(20)10-14)18(21)11-22-15-7-5-12-3-1-2-4-13(12)9-15/h1-10,19-20H,11H2
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n/an/a 2.88E+6n/an/an/an/a7.537



The University of Queensland



Assay Description
The DNA-binding competition assay was performed in 25 μL, in black 384-well plates, using either 30 mM HEPES (N-2-Hydroxyethylpiperazine-N'-2-Etha...


Cell Chem Biol 24: 346-359 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.003
BindingDB Entry DOI: 10.7270/Q2MP5252
More data for this
Ligand-Target Pair
Transcription factor SOX-18


(Mus musculus (Mouse))
BDBM223296
PNG
(Sm11 | US20240002326, Compound Sm11)
Show SMILES COc1ccc(OCC(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H14O5/c1-19-11-3-5-12(6-4-11)20-9-15(18)13-7-2-10(16)8-14(13)17/h2-8,16-17H,9H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80E+6n/an/an/an/a7.537



The University of Queensland



Assay Description
The DNA-binding competition assay was performed in 25 μL, in black 384-well plates, using either 30 mM HEPES (N-2-Hydroxyethylpiperazine-N'-2-Etha...


Cell Chem Biol 24: 346-359 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.003
BindingDB Entry DOI: 10.7270/Q2MP5252
More data for this
Ligand-Target Pair