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Compile Data Set for Download or QSAR

Found 62 hits with Last Name = 'helquist' and Initial = 'p'   
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
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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n/an/a 0.300n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NAALADase

Bioorg Med Chem 16: 1648-57 (2008)


Article DOI: 10.1016/j.bmc.2007.11.030
BindingDB Entry DOI: 10.7270/Q2MC90VM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50148758
PNG
(2-(Quinolin-6-ylcarbamoyl)-octanedioic acid 8-hydr...)
Show SMILES ONC(=O)CCCCCC(C(=O)Nc1ccc2ncccc2c1)C(=O)Nc1ccc2ncccc2c1
Show InChI InChI=1S/C27H27N5O4/c33-25(32-36)9-3-1-2-8-22(26(34)30-20-10-12-23-18(16-20)6-4-14-28-23)27(35)31-21-11-13-24-19(17-21)7-5-15-29-24/h4-7,10-17,22,36H,1-3,8-9H2,(H,30,34)(H,31,35)(H,32,33)
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n/an/a 1n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Inhibitory activity against human Histone deacetylase 1

J Med Chem 47: 3409-17 (2004)


Article DOI: 10.1021/jm0498497
BindingDB Entry DOI: 10.7270/Q2G16085
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50148757
PNG
(2-[3-(2-Hydroxycarbamoyl-vinyl)-phenyl]-N,N'-diphe...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)C(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H21N3O4/c28-21(27-31)15-14-17-8-7-9-18(16-17)22(23(29)25-19-10-3-1-4-11-19)24(30)26-20-12-5-2-6-13-20/h1-16,22,31H,(H,25,29)(H,26,30)(H,27,28)/b15-14+
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n/an/a 1n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Inhibitory activity against human Histone deacetylase 1

J Med Chem 47: 3409-17 (2004)


Article DOI: 10.1021/jm0498497
BindingDB Entry DOI: 10.7270/Q2G16085
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50148759
PNG
(CHEMBL323869 | [6-Hydroxycarbamoyl-1-(quinolin-8-y...)
Show SMILES ONC(=O)CCCCCC(NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C25H28N4O5/c30-22(29-33)15-6-2-5-13-21(28-25(32)34-17-18-9-3-1-4-10-18)24(31)27-20-14-7-11-19-12-8-16-26-23(19)20/h1,3-4,7-12,14,16,21,33H,2,5-6,13,15,17H2,(H,27,31)(H,28,32)(H,29,30)
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n/an/a 2.5n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Inhibitory activity against human Histone deacetylase 1

J Med Chem 47: 3409-17 (2004)


Article DOI: 10.1021/jm0498497
BindingDB Entry DOI: 10.7270/Q2G16085
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM50371316
PNG
(CHEMBL408143)
Show SMILES CC(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)NCCCC(=O)c1ccc(cc1)C(=O)NCC(=O)Nc1ccc(CCOP(O)(=O)C[C@@H](CCC(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C50H72N9O20P/c1-31(60)53-41(10-7-26-58(75)33(3)62)48(70)56-42(11-8-27-59(76)34(4)63)49(71)55-40(9-6-25-57(74)32(2)61)47(69)51-24-5-12-43(64)36-15-17-37(18-16-36)46(68)52-29-44(65)54-39-20-13-35(14-21-39)23-28-79-80(77,78)30-38(50(72)73)19-22-45(66)67/h13-18,20-21,38,40-42,74-76H,5-12,19,22-30H2,1-4H3,(H,51,69)(H,52,68)(H,53,60)(H,54,65)(H,55,71)(H,56,70)(H,66,67)(H,72,73)(H,77,78)/t38-,40+,41+,42+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NAALADase

Bioorg Med Chem 16: 1648-57 (2008)


Article DOI: 10.1016/j.bmc.2007.11.030
BindingDB Entry DOI: 10.7270/Q2MC90VM
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM197336
PNG
(R-TSA)
Show SMILES C[C@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m1/s1
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n/an/a 4.67n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
Histone deacetylase 6 [25-831]


(Danio rerio (Zebrafish))		BDBM197336
PNG
(R-TSA)
Show SMILES C[C@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m1/s1
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n/an/a 5.45n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM197336
PNG
(R-TSA)
Show SMILES C[C@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m1/s1
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n/an/a 5.76n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM197336
PNG
(R-TSA)
Show SMILES C[C@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m1/s1
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n/an/a 8.09n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
Histone deacetylase 6 [25-831]


(Danio rerio (Zebrafish))		BDBM197337
PNG
(S-TSA)
Show SMILES C[C@@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m0/s1
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n/an/a 9.88n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM197337
PNG
(S-TSA)
Show SMILES C[C@@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m0/s1
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n/an/a 11.1n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM50371317
PNG
(CHEMBL408144)
Show SMILES OC(=O)CCC(CP(O)(=O)OCc1ccccc1)C(O)=O |w:7.7,5.4|
Show InChI InChI=1S/C13H17O7P/c14-12(15)7-6-11(13(16)17)9-21(18,19)20-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)(H,16,17)(H,18,19)
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n/an/a 12.5n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Inhibition of NAALADase expressed in LNCaP human prostate cancer cells

Bioorg Med Chem 16: 1648-57 (2008)


Article DOI: 10.1016/j.bmc.2007.11.030
BindingDB Entry DOI: 10.7270/Q2MC90VM
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM197336
PNG
(R-TSA)
Show SMILES C[C@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m1/s1
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n/an/a 17.8n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))		BDBM197336
PNG
(R-TSA)
Show SMILES C[C@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m1/s1
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n/an/a 29.2n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
Lysosomal acid lipase/cholesteryl ester hydrolase


(Homo sapiens (Human))		BDBM50318690
PNG
(4-Piperidinyl-1,2,5-thiadiazolyl-3-morpholine carb...)
Show SMILES O=C(Oc1nsnc1N1CCCCC1)N1CCOCC1
Show InChI InChI=1S/C12H18N4O3S/c17-12(16-6-8-18-9-7-16)19-11-10(13-20-14-11)15-4-2-1-3-5-15/h1-9H2
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n/an/a 68n/an/an/an/an/an/a



Weill Cornell Medical College

Curated by ChEMBL


Assay Description
Inhibition of human LAL after 30 mins by fluorescence assay

J Med Chem 53: 5281-9 (2010)


Article DOI: 10.1021/jm100499s
BindingDB Entry DOI: 10.7270/Q2FB53XB
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)		BDBM50135752
PNG
((2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyr...)
Show SMILES Cn1cc(cc1C=CC(=O)NO)C(=O)Cc1ccccc1 |w:7.8|
Show InChI InChI=1S/C16H16N2O3/c1-18-11-13(10-14(18)7-8-16(20)17-21)15(19)9-12-5-3-2-4-6-12/h2-8,10-11,21H,9H2,1H3,(H,17,20)
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n/an/a 100n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Inhibitory activity against maize Histone deacetylase 2

J Med Chem 47: 3409-17 (2004)


Article DOI: 10.1021/jm0498497
BindingDB Entry DOI: 10.7270/Q2G16085
More data for this
Ligand-Target Pair
Lysosomal acid lipase/cholesteryl ester hydrolase


(Homo sapiens (Human))		BDBM50318691
PNG
(4-(Piperidin-1-yl)-1,2,5-thiadiazol-3-yl piperidin...)
Show SMILES O=C(Oc1nsnc1N1CCCCC1)N1CCCCC1
Show InChI InChI=1S/C13H20N4O2S/c18-13(17-9-5-2-6-10-17)19-12-11(14-20-15-12)16-7-3-1-4-8-16/h1-10H2
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n/an/a 152n/an/an/an/an/an/a



Weill Cornell Medical College

Curated by ChEMBL


Assay Description
Inhibition of human LAL after 30 mins by fluorescence assay

J Med Chem 53: 5281-9 (2010)


Article DOI: 10.1021/jm100499s
BindingDB Entry DOI: 10.7270/Q2FB53XB
More data for this
Ligand-Target Pair
Lysosomal acid lipase/cholesteryl ester hydrolase


(Homo sapiens (Human))		BDBM50318686
PNG
(4-(Azepan-1-yl)-1,2,5-thiadiazol-3-yl morpholine-4...)
Show SMILES O=C(Oc1nsnc1N1CCCCCC1)N1CCOCC1
Show InChI InChI=1S/C13H20N4O3S/c18-13(17-7-9-19-10-8-17)20-12-11(14-21-15-12)16-5-3-1-2-4-6-16/h1-10H2
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n/an/a 189n/an/an/an/an/an/a



Weill Cornell Medical College

Curated by ChEMBL


Assay Description
Inhibition of human LAL after 30 mins by fluorescence assay

J Med Chem 53: 5281-9 (2010)


Article DOI: 10.1021/jm100499s
BindingDB Entry DOI: 10.7270/Q2FB53XB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 200n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Inhibitory activity against human Histone deacetylase 1

J Med Chem 47: 3409-17 (2004)


Article DOI: 10.1021/jm0498497
BindingDB Entry DOI: 10.7270/Q2G16085
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))		BDBM197337
PNG
(S-TSA)
Show SMILES C[C@@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m0/s1
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n/an/a 206n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
Lysosomal acid lipase/cholesteryl ester hydrolase


(Homo sapiens (Human))		BDBM50318687
PNG
(4-(Azepan-1-yl)-1,2,5-thiadiazol-3-yl piperidine-1...)
Show SMILES O=C(Oc1nsnc1N1CCCCCC1)N1CCCCC1
Show InChI InChI=1S/C14H22N4O2S/c19-14(18-10-6-3-7-11-18)20-13-12(15-21-16-13)17-8-4-1-2-5-9-17/h1-11H2
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n/an/a 300n/an/an/an/an/an/a



Weill Cornell Medical College

Curated by ChEMBL


Assay Description
Inhibition of human LAL after 30 mins by fluorescence assay

J Med Chem 53: 5281-9 (2010)


Article DOI: 10.1021/jm100499s
BindingDB Entry DOI: 10.7270/Q2FB53XB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM197337
PNG
(S-TSA)
Show SMILES C[C@@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m0/s1
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n/an/a 312n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM197337
PNG
(S-TSA)
Show SMILES C[C@@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m0/s1
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n/an/a 321n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))		BDBM197337
PNG
(S-TSA)
Show SMILES C[C@@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m0/s1
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n/an/a 403n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM197336
PNG
(R-TSA)
Show SMILES C[C@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m1/s1
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n/an/a 411n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
Lysosomal acid lipase/cholesteryl ester hydrolase


(Homo sapiens (Human))		BDBM50318689
PNG
(4-Morpholino-1,2,5-thiadiazol-3-yl piperidine-1-ca...)
Show SMILES O=C(Oc1nsnc1N1CCOCC1)N1CCCCC1
Show InChI InChI=1S/C12H18N4O3S/c17-12(16-4-2-1-3-5-16)19-11-10(13-20-14-11)15-6-8-18-9-7-15/h1-9H2
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n/an/a 424n/an/an/an/an/an/a



Weill Cornell Medical College

Curated by ChEMBL


Assay Description
Inhibition of human LAL after 30 mins by fluorescence assay

J Med Chem 53: 5281-9 (2010)


Article DOI: 10.1021/jm100499s
BindingDB Entry DOI: 10.7270/Q2FB53XB
More data for this
Ligand-Target Pair
Lysosomal acid lipase/cholesteryl ester hydrolase


(Homo sapiens (Human))		BDBM50318692
PNG
(4-(Pyrrolidin-1-yl)-1,2,5-thiadiazol-3-yl morpholi...)
Show SMILES O=C(Oc1nsnc1N1CCCC1)N1CCOCC1
Show InChI InChI=1S/C11H16N4O3S/c16-11(15-5-7-17-8-6-15)18-10-9(12-19-13-10)14-3-1-2-4-14/h1-8H2
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n/an/a 473n/an/an/an/an/an/a



Weill Cornell Medical College

Curated by ChEMBL


Assay Description
Inhibition of human LAL after 30 mins by fluorescence assay

J Med Chem 53: 5281-9 (2010)


Article DOI: 10.1021/jm100499s
BindingDB Entry DOI: 10.7270/Q2FB53XB
More data for this
Ligand-Target Pair
Lysosomal acid lipase/cholesteryl ester hydrolase


(Homo sapiens (Human))		BDBM50318688
PNG
(3-N-Morpholinocarbamate-4-morpholino-1,2,5-thiadia...)
Show SMILES O=C(Oc1nsnc1N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C11H16N4O4S/c16-11(15-3-7-18-8-4-15)19-10-9(12-20-13-10)14-1-5-17-6-2-14/h1-8H2
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n/an/a 492n/an/an/an/an/an/a



Weill Cornell Medical College

Curated by ChEMBL


Assay Description
Inhibition of human LAL after 30 mins by fluorescence assay

J Med Chem 53: 5281-9 (2010)


Article DOI: 10.1021/jm100499s
BindingDB Entry DOI: 10.7270/Q2FB53XB
More data for this
Ligand-Target Pair
Lysosomal acid lipase/cholesteryl ester hydrolase


(Homo sapiens (Human))		BDBM50318693
PNG
(4-(Pyrrolidin-1-yl)-1,2,5-thiadiazol-3-yl Piperidi...)
Show SMILES O=C(Oc1nsnc1N1CCCC1)N1CCCCC1
Show InChI InChI=1S/C12H18N4O2S/c17-12(16-8-2-1-3-9-16)18-11-10(13-19-14-11)15-6-4-5-7-15/h1-9H2
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n/an/a 496n/an/an/an/an/an/a



Weill Cornell Medical College

Curated by ChEMBL


Assay Description
Inhibition of human LAL after 30 mins by fluorescence assay

J Med Chem 53: 5281-9 (2010)


Article DOI: 10.1021/jm100499s
BindingDB Entry DOI: 10.7270/Q2FB53XB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Mus musculus (Mouse))		BDBM50135752
PNG
((2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyr...)
Show SMILES Cn1cc(cc1C=CC(=O)NO)C(=O)Cc1ccccc1 |w:7.8|
Show InChI InChI=1S/C16H16N2O3/c1-18-11-13(10-14(18)7-8-16(20)17-21)15(19)9-12-5-3-2-4-6-12/h2-8,10-11,21H,9H2,1H3,(H,17,20)
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n/an/a 513n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse Histone deacetylase 1 (HDAC1)

J Med Chem 47: 3409-17 (2004)


Article DOI: 10.1021/jm0498497
BindingDB Entry DOI: 10.7270/Q2G16085
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM197337
PNG
(S-TSA)
Show SMILES C[C@@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m0/s1
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n/an/a 613n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))		BDBM197337
PNG
(S-TSA)
Show SMILES C[C@@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m0/s1
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n/an/a 1.82E+3n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))		BDBM197337
PNG
(S-TSA)
Show SMILES C[C@@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m0/s1
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n/an/a 2.68E+3n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))		BDBM197336
PNG
(R-TSA)
Show SMILES C[C@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50326559
PNG
(4-(9,10-dioxo-4-(phenylamino)-5,8,9,10-tetrahydroa...)
Show SMILES OS(=O)(=O)c1ccc(Nc2ccc(Nc3ccccc3)c3C(=O)C4=C(CC=CC4)C(=O)c23)cc1 |c:27,t:24|
Show InChI InChI=1S/C26H20N2O5S/c29-25-19-8-4-5-9-20(19)26(30)24-22(28-17-10-12-18(13-11-17)34(31,32)33)15-14-21(23(24)25)27-16-6-2-1-3-7-16/h1-7,10-15,27-28H,8-9H2,(H,31,32,33)
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n/an/a 3.60E+3n/an/an/an/a7.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 7

Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))		BDBM197336
PNG
(R-TSA)
Show SMILES C[C@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m1/s1
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n/an/a 3.64E+3n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))		BDBM50326557
PNG
((E)-5-((2-hydroxynaphthalen-1-yl)diazenyl)naphthal...)
Show SMILES Oc1ccc2ccccc2c1N=Nc1cccc2cc(ccc12)S(O)(=O)=O |w:12.14|
Show InChI InChI=1S/C20H14N2O4S/c23-19-11-8-13-4-1-2-6-17(13)20(19)22-21-18-7-3-5-14-12-15(27(24,25)26)9-10-16(14)18/h1-12,23H,(H,24,25,26)
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n/an/a 3.90E+3n/an/an/an/a5.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase B assessed as change in enzyme activity at pH 5

Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50326562
PNG
(8-phenyl-1-thia-4,8-diazaspiro[4.5]decane-3-carbox...)
Show SMILES OC(=O)C1CSC2(CCN(CC2)c2ccccc2)N1
Show InChI InChI=1S/C14H18N2O2S/c17-13(18)12-10-19-14(15-12)6-8-16(9-7-14)11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,17,18)
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n/an/a 4.00E+3n/an/an/an/a7.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 7

Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))		BDBM197336
PNG
(R-TSA)
Show SMILES C[C@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m1/s1
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n/an/a 4.39E+3n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))		BDBM50326559
PNG
(4-(9,10-dioxo-4-(phenylamino)-5,8,9,10-tetrahydroa...)
Show SMILES OS(=O)(=O)c1ccc(Nc2ccc(Nc3ccccc3)c3C(=O)C4=C(CC=CC4)C(=O)c23)cc1 |c:27,t:24|
Show InChI InChI=1S/C26H20N2O5S/c29-25-19-8-4-5-9-20(19)26(30)24-22(28-17-10-12-18(13-11-17)34(31,32)33)15-14-21(23(24)25)27-16-6-2-1-3-7-16/h1-7,10-15,27-28H,8-9H2,(H,31,32,33)
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n/an/a 4.50E+3n/an/an/an/a5.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase B assessed as change in enzyme activity at pH 5

Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50326563
PNG
(2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic a...)
Show SMILES NC(Cc1cc(Br)c(O)c(Br)c1)C(O)=O
Show InChI InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)
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n/an/a 4.60E+3n/an/an/an/a7.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 7

Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))		BDBM197337
PNG
(S-TSA)
Show SMILES C[C@@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m0/s1
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n/an/a 4.82E+3n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50326557
PNG
((E)-5-((2-hydroxynaphthalen-1-yl)diazenyl)naphthal...)
Show SMILES Oc1ccc2ccccc2c1N=Nc1cccc2cc(ccc12)S(O)(=O)=O |w:12.14|
Show InChI InChI=1S/C20H14N2O4S/c23-19-11-8-13-4-1-2-6-17(13)20(19)22-21-18-7-3-5-14-12-15(27(24,25)26)9-10-16(14)18/h1-12,23H,(H,24,25,26)
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n/an/a 5.50E+3n/an/an/an/a5.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 5

Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50326559
PNG
(4-(9,10-dioxo-4-(phenylamino)-5,8,9,10-tetrahydroa...)
Show SMILES OS(=O)(=O)c1ccc(Nc2ccc(Nc3ccccc3)c3C(=O)C4=C(CC=CC4)C(=O)c23)cc1 |c:27,t:24|
Show InChI InChI=1S/C26H20N2O5S/c29-25-19-8-4-5-9-20(19)26(30)24-22(28-17-10-12-18(13-11-17)34(31,32)33)15-14-21(23(24)25)27-16-6-2-1-3-7-16/h1-7,10-15,27-28H,8-9H2,(H,31,32,33)
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n/an/a 5.50E+3n/an/an/an/a5.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 5

Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50326561
PNG
(2-(2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-3-yl)acet...)
Show SMILES OC(=O)CC1NCc2cc3ccccc3nc12
Show InChI InChI=1S/C13H12N2O2/c16-12(17)6-11-13-9(7-14-11)5-8-3-1-2-4-10(8)15-13/h1-5,11,14H,6-7H2,(H,16,17)
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n/an/a 5.50E+3n/an/an/an/a5.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 5

Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))		BDBM197337
PNG
(S-TSA)
Show SMILES C[C@@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m0/s1
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n/an/a 6.33E+3n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))		BDBM197337
PNG
(S-TSA)
Show SMILES C[C@@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m0/s1
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n/an/a 6.34E+3n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50326561
PNG
(2-(2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-3-yl)acet...)
Show SMILES OC(=O)CC1NCc2cc3ccccc3nc12
Show InChI InChI=1S/C13H12N2O2/c16-12(17)6-11-13-9(7-14-11)5-8-3-1-2-4-10(8)15-13/h1-5,11,14H,6-7H2,(H,16,17)
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n/an/a 8.10E+3n/an/an/an/a7.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 7

Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50326557
PNG
((E)-5-((2-hydroxynaphthalen-1-yl)diazenyl)naphthal...)
Show SMILES Oc1ccc2ccccc2c1N=Nc1cccc2cc(ccc12)S(O)(=O)=O |w:12.14|
Show InChI InChI=1S/C20H14N2O4S/c23-19-11-8-13-4-1-2-6-17(13)20(19)22-21-18-7-3-5-14-12-15(27(24,25)26)9-10-16(14)18/h1-12,23H,(H,24,25,26)
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n/an/a 8.10E+3n/an/an/an/a7.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 7

Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))		BDBM197336
PNG
(R-TSA)
Show SMILES C[C@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m1/s1
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n/an/a 8.86E+3n/an/an/an/an/an/a



Friedrich Miescher Institute for Biomedical Research



Assay Description
. Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...

Nat Chem Biol 12: 748-54 (2016)


Article DOI: 10.1038/nchembio.2140
BindingDB Entry DOI: 10.7270/Q2V986V6
More data for this
Ligand-Target Pair
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