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PubChem AID 486

Compile data set for download or QSAR
Found 92 hits of Enzyme Inhibition Constant Data   
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
Huntingtin


(Homo sapiens (Human))		BDBM37533
PNG
((2E,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylene...)
Show SMILES CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,10,13-15,25-26,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,10?,13?,14-,15-,21-/m0/s1
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37535
PNG
(CHLORTETRACYCLINE HYDROCHLORIDE | MLS000069428 | S...)
Show SMILES CN(C)[C@H]1[C@@H]2CC3C(C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,11,13,15,26,32-33H,6H2,1-3H3,(H2,24,31)/t7?,8-,11?,13?,15-,21-,22-/m0/s1
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM32023
PNG
((2E,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylene...)
Show SMILES CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,13-15,25,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,13?,14?,15-,21+,22-/m0/s1
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37534
PNG
((2E,4R,12aR)-2-[amino(hydroxy)methylene]-4,7-bis(d...)
Show SMILES CN(C)[C@@H]1C2CC3Cc4c(ccc(O)c4C(=O)C3C(=O)[C@@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C
Show InChI InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,14,16-17,27,33H,7-8H2,1-4H3,(H2,24,32)/t9?,11?,14?,16?,17-,23-/m1/s1
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37536
PNG
((2E,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methyl...)
Show SMILES CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10-14,17,25,28,32-33H,1-3H3,(H2,23,31)/t10?,11?,12-,13-,14+,17+,21-,22+/m1/s1
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM50258233
PNG
(6-bromo-4-(4-ethylpiperazin-1-yl)quinazoline | CHE...)
Show SMILES CCN1CCN(CC1)c1ncnc2ccc(Br)cc12
Show InChI InChI=1S/C14H17BrN4/c1-2-18-5-7-19(8-6-18)14-12-9-11(15)3-4-13(12)16-10-17-14/h3-4,9-10H,2,5-8H2,1H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM36921
PNG
(6-cyclohexyl-3-(3-methoxyphenyl)-[1,2,4]triazolo[3...)
Show SMILES COc1cccc(c1)-c1nnc2sc(nn12)C1CCCCC1
Show InChI InChI=1S/C16H18N4OS/c1-21-13-9-5-8-12(10-13)14-17-18-16-20(14)19-15(22-16)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37557
PNG
(1-(4-ethylthieno[3,2-b]pyrrol-5-yl)carbonyl-N-(3-p...)
Show SMILES CCn1c(cc2sccc12)C(=O)N1CCCC(C1)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C24H29N3O2S/c1-2-27-20-12-15-30-22(20)16-21(27)24(29)26-14-7-11-19(17-26)23(28)25-13-6-10-18-8-4-3-5-9-18/h3-5,8-9,12,15-16,19H,2,6-7,10-11,13-14,17H2,1H3,(H,25,28)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37539
PNG
(7-(2-fluorobenzyl)-1,3-dimethyl-8-(piperonylamino)...)
Show SMILES Cn1c2nc(NCc3ccc4OCOc4c3)n(Cc3ccccc3F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H20FN5O4/c1-26-19-18(20(29)27(2)22(26)30)28(11-14-5-3-4-6-15(14)23)21(25-19)24-10-13-7-8-16-17(9-13)32-12-31-16/h3-9H,10-12H2,1-2H3,(H,24,25)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37552
PNG
(6-(1-benzofuran-2-yl)-3-[(3,4-dimethoxyphenyl)meth...)
Show SMILES COc1ccc(Cc2nnc3SCC(=Nn23)c2cc3ccccc3o2)cc1OC |c:13|
Show InChI InChI=1S/C21H18N4O3S/c1-26-17-8-7-13(9-19(17)27-2)10-20-22-23-21-25(20)24-15(12-29-21)18-11-14-5-3-4-6-16(14)28-18/h3-9,11H,10,12H2,1-2H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37558
PNG
(MLS000047411 | N-(2-fluorophenyl)-3-[4-(4-fluoroph...)
Show SMILES Fc1ccc(cc1)N1CCN(CCC(=O)Nc2ccccc2F)CC1
Show InChI InChI=1S/C19H21F2N3O/c20-15-5-7-16(8-6-15)24-13-11-23(12-14-24)10-9-19(25)22-18-4-2-1-3-17(18)21/h1-8H,9-14H2,(H,22,25)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37561
PNG
(2-amino-4-phenyl-phenol | 2-amino-4-phenylphenol |...)
Show SMILES Nc1cc(ccc1O)-c1ccccc1
Show InChI InChI=1S/C12H11NO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H,13H2
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37565
PNG
(3-(o-tolyl)-6-(piperonylamino)uracil | 6-(1,3-benz...)
Show SMILES Cc1ccccc1-n1c(=O)cc(NCc2ccc3OCOc3c2)[nH]c1=O |(7.08,3.85,;5.75,3.08,;4.41,3.85,;3.08,3.08,;3.08,1.54,;4.41,.77,;5.75,1.54,;7.08,.77,;8.41,1.54,;8.41,3.08,;9.75,.77,;9.75,-.77,;11.08,-1.54,;12.42,-.77,;13.75,-1.54,;13.75,-3.08,;15.08,-3.85,;16.42,-3.08,;17.87,-3.55,;18.77,-2.31,;17.87,-1.07,;16.42,-1.54,;15.08,-.77,;8.41,-1.54,;7.08,-.77,;5.75,-1.54,)|
Show InChI InChI=1S/C19H17N3O4/c1-12-4-2-3-5-14(12)22-18(23)9-17(21-19(22)24)20-10-13-6-7-15-16(8-13)26-11-25-15/h2-9,20H,10-11H2,1H3,(H,21,24)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37575
PNG
(1-(4-chlorophenyl)-1-hydroxy-3-phenyl-urea | 1-(4-...)
Show SMILES ON(C(=O)Nc1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN2O2/c14-10-6-8-12(9-7-10)16(18)13(17)15-11-4-2-1-3-5-11/h1-9,18H,(H,15,17)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37583
PNG
(3-acetamido-5-bromo-2-benzofurancarboxylic acid me...)
Show SMILES COC(=O)c1oc2ccc(Br)cc2c1NC(C)=O
Show InChI InChI=1S/C12H10BrNO4/c1-6(15)14-10-8-5-7(13)3-4-9(8)18-11(10)12(16)17-2/h3-5H,1-2H3,(H,14,15)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37520
PNG
(2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfa...)
Show SMILES COc1ccc(cc1)-c1nnc(SCC#N)o1
Show InChI InChI=1S/C11H9N3O2S/c1-15-9-4-2-8(3-5-9)10-13-14-11(16-10)17-7-6-12/h2-5H,7H2,1H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37527
PNG
(2-[[5-[(4-chloroanilino)methyl]-1,3,4-oxadiazol-2-...)
Show SMILES COc1ccc(CCNC(=O)CSc2nnc(CNc3ccc(Cl)cc3)o2)cc1OC
Show InChI InChI=1S/C21H23ClN4O4S/c1-28-17-8-3-14(11-18(17)29-2)9-10-23-19(27)13-31-21-26-25-20(30-21)12-24-16-6-4-15(22)5-7-16/h3-8,11,24H,9-10,12-13H2,1-2H3,(H,23,27)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37531
PNG
((4-Methyl-quinazolin-2-yl)-[5-(tetrahydro-furan-2-...)
Show SMILES Cc1nc(NC2=NCN(CC3CCCO3)CN2)nc2ccccc12 |t:5|
Show InChI InChI=1S/C17H22N6O/c1-12-14-6-2-3-7-15(14)21-17(20-12)22-16-18-10-23(11-19-16)9-13-5-4-8-24-13/h2-3,6-7,13H,4-5,8-11H2,1H3,(H2,18,19,20,21,22)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37537
PNG
(2-(2-imidazolin-2-ylamino)ethanol;hydroiodide | 2-...)
Show SMILES OCCNC1=NCCN1 |t:4|
Show InChI InChI=1S/C5H11N3O/c9-4-3-8-5-6-1-2-7-5/h9H,1-4H2,(H2,6,7,8)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37541
PNG
(MLS000030505 | SMR000040116 | cid_659091)
Show SMILES COc1ccccc1-n1c2nnc(SC(C)C)n2c2sc3CCCc3c2c1=O |(11.41,3.02,;10.07,2.25,;8.74,3.02,;8.74,4.57,;7.4,5.34,;6.06,4.57,;6.06,3.02,;7.4,2.25,;7.4,.7,;8.74,-.07,;10.2,.4,;11.1,-.84,;10.2,-2.08,;10.68,-3.55,;12.19,-3.87,;12.67,-5.34,;13.22,-2.72,;8.74,-1.61,;7.4,-2.38,;7.07,-3.89,;5.55,-4.05,;4.41,-5.06,;3.09,-4.3,;3.4,-2.81,;4.92,-2.64,;6.06,-1.61,;6.06,-.07,;4.72,.7,)|
Show InChI InChI=1S/C20H20N4O2S2/c1-11(2)27-20-22-21-19-23(13-8-4-5-9-14(13)26-3)17(25)16-12-7-6-10-15(12)28-18(16)24(19)20/h4-5,8-9,11H,6-7,10H2,1-3H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37547
PNG
(3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-m...)
Show SMILES COc1ccc(NC(=O)CCc2nc(no2)-c2ccccc2F)cc1
Show InChI InChI=1S/C18H16FN3O3/c1-24-13-8-6-12(7-9-13)20-16(23)10-11-17-21-18(22-25-17)14-4-2-3-5-15(14)19/h2-9H,10-11H2,1H3,(H,20,23)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37554
PNG
(2-(4-fluoroanilino)-N-(2-furanylmethyl)benzamide |...)
Show SMILES Fc1ccc(Nc2ccccc2C(=O)NCc2ccco2)cc1
Show InChI InChI=1S/C18H15FN2O2/c19-13-7-9-14(10-8-13)21-17-6-2-1-5-16(17)18(22)20-12-15-4-3-11-23-15/h1-11,21H,12H2,(H,20,22)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37556
PNG
(1-[4-(2-furoyl)piperazino]-2-[[5-(2-furyl)-4-pheny...)
Show SMILES O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C23H21N5O4S/c29-20(26-10-12-27(13-11-26)22(30)19-9-5-15-32-19)16-33-23-25-24-21(18-8-4-14-31-18)28(23)17-6-2-1-3-7-17/h1-9,14-15H,10-13,16H2
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37568
PNG
(MLS000095431 | N-butyl-2-[(4-keto-6-morpholino-3-p...)
Show SMILES CCCCNC(=O)CSc1nc2ccc(cc2c(=O)n1CCc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C26H32N4O3S/c1-2-3-12-27-24(31)19-34-26-28-23-10-9-21(29-14-16-33-17-15-29)18-22(23)25(32)30(26)13-11-20-7-5-4-6-8-20/h4-10,18H,2-3,11-17,19H2,1H3,(H,27,31)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37595
PNG
(1-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)-3-...)
Show SMILES COc1cccc(c1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1CCCN(C)C
Show InChI InChI=1S/C22H26N2O5/c1-14-9-10-17(29-14)20(25)18-19(15-7-5-8-16(13-15)28-4)24(22(27)21(18)26)12-6-11-23(2)3/h5,7-10,13,18-19H,6,11-12H2,1-4H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37518
PNG
(MLS000074703 | N-[2-(tert-butylamino)-2-keto-ethyl...)
Show SMILES CC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)c1csnn1
Show InChI InChI=1S/C14H18N4O2S2/c1-14(2,3)15-12(19)8-18(7-10-5-4-6-21-10)13(20)11-9-22-17-16-11/h4-6,9H,7-8H2,1-3H3,(H,15,19)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37523
PNG
(3-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-butyric acid ...)
Show SMILES CC(CC(O)=O)n1nc(C)nc1C
Show InChI InChI=1S/C8H13N3O2/c1-5(4-8(12)13)11-7(3)9-6(2)10-11/h5H,4H2,1-3H3,(H,12,13)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37525
PNG
(2,2,2-trifluoro-N-(2-keto-1,3-dimethyl-benzimidazo...)
Show SMILES Cn1c2ccc(NC(=O)C(F)(F)F)cc2n(C)c1=O
Show InChI InChI=1S/C11H10F3N3O2/c1-16-7-4-3-6(15-9(18)11(12,13)14)5-8(7)17(2)10(16)19/h3-5H,1-2H3,(H,15,18)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37529
PNG
(Furan-2-carboxylic acid (6,7,8,9-tetrahydro-5H-10-...)
Show SMILES O=C(Nc1ncnc2sc3CCCCCc3c12)c1ccco1
Show InChI InChI=1S/C16H15N3O2S/c20-15(11-6-4-8-21-11)19-14-13-10-5-2-1-3-7-12(10)22-16(13)18-9-17-14/h4,6,8-9H,1-3,5,7H2,(H,17,18,19,20)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37532
PNG
(1-Amino-3-o-tolyloxy-propan-2-ol | 1-amino-3-(2-me...)
Show SMILES Cc1ccccc1OCC(O)CN
Show InChI InChI=1S/C10H15NO2/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,12H,6-7,11H2,1H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37563
PNG
(2-(2,2-dimethyl-1-oxopropyl)imino-1-(3-methoxyprop...)
Show SMILES CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(CCCOC)\c1=N\C(=O)C(C)(C)C
Show InChI InChI=1S/C23H28N4O5/c1-6-32-21(29)16-14-15-18(24-17-10-7-8-11-26(17)20(15)28)27(12-9-13-31-5)19(16)25-22(30)23(2,3)4/h7-8,10-11,14H,6,9,12-13H2,1-5H3/b25-19+
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37576
PNG
(MLS000065323 | N-(4-hydroxyphenyl)-2,3,5,6-tetrame...)
Show SMILES Cc1cc(C)c(C)c(c1C)S(=O)(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C16H19NO3S/c1-10-9-11(2)13(4)16(12(10)3)21(19,20)17-14-5-7-15(18)8-6-14/h5-9,17-18H,1-4H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37579
PNG
(5-(2,4-dichlorophenyl)-N-[2-(4-mesylpiperazino)phe...)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccccc1NC(=O)c1ccc(o1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H21Cl2N3O4S/c1-32(29,30)27-12-10-26(11-13-27)19-5-3-2-4-18(19)25-22(28)21-9-8-20(31-21)16-7-6-15(23)14-17(16)24/h2-9,14H,10-13H2,1H3,(H,25,28)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37586
PNG
(4-[[(2-morpholin-4-yl-3,4-dioxocyclobuten-1-yl)ami...)
Show SMILES O=C(NC1CCCc2ccccc12)c1ccc(CNc2c(N3CCOCC3)c(=O)c2=O)cc1
Show InChI InChI=1S/C26H27N3O4/c30-24-22(23(25(24)31)29-12-14-33-15-13-29)27-16-17-8-10-19(11-9-17)26(32)28-21-7-3-5-18-4-1-2-6-20(18)21/h1-2,4,6,8-11,21,27H,3,5,7,12-16H2,(H,28,32)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37587
PNG
(MLS000116342 | N-(2-bromo-4,6-difluoro-phenyl)-5-c...)
Show SMILES Fc1cc(F)c(NC(=O)c2cc(on2)C2CC2)c(Br)c1
Show InChI InChI=1S/C13H9BrF2N2O2/c14-8-3-7(15)4-9(16)12(8)17-13(19)10-5-11(20-18-10)6-1-2-6/h3-6H,1-2H2,(H,17,19)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM33604
PNG
(1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-2-pyridin...)
Show SMILES Cc1ccnc(NC(=O)C2CCCN(C2)S(=O)(=O)c2c[nH]cn2)c1
Show InChI InChI=1S/C15H19N5O3S/c1-11-4-5-17-13(7-11)19-15(21)12-3-2-6-20(9-12)24(22,23)14-8-16-10-18-14/h4-5,7-8,10,12H,2-3,6,9H2,1H3,(H,16,18)(H,17,19,21)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37522
PNG
(3-(3,6-diketo-1H-pyridazin-2-yl)propionic acid | 3...)
Show SMILES OC(=O)CCn1[nH]c(=O)ccc1=O
Show InChI InChI=1S/C7H8N2O4/c10-5-1-2-6(11)9(8-5)4-3-7(12)13/h1-2H,3-4H2,(H,8,10)(H,12,13)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37548
PNG
((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl...)
Show SMILES COc1ccc(CNc2nc3nc(C)cc(C)n3n2)cc1OC
Show InChI InChI=1S/C16H19N5O2/c1-10-7-11(2)21-16(18-10)19-15(20-21)17-9-12-5-6-13(22-3)14(8-12)23-4/h5-8H,9H2,1-4H3,(H,17,20)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37559
PNG
(4-N-cyclooctyl-1-N,1-N-dimethylpiperidine-1,4-dica...)
Show SMILES CN(C)C(=O)N1CCC(CC1)C(=O)NC1CCCCCCC1
Show InChI InChI=1S/C17H31N3O2/c1-19(2)17(22)20-12-10-14(11-13-20)16(21)18-15-8-6-4-3-5-7-9-15/h14-15H,3-13H2,1-2H3,(H,18,21)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM34605
PNG
(MLS000046690 | N-[[1-(4-methoxyphenyl)-3-pyrrolidi...)
Show SMILES COc1ccc(cc1)N1CCC(CNS(=O)(=O)c2cccc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C19H21F3N2O3S/c1-27-17-7-5-16(6-8-17)24-10-9-14(13-24)12-23-28(25,26)18-4-2-3-15(11-18)19(20,21)22/h2-8,11,14,23H,9-10,12-13H2,1H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37572
PNG
(2-[(1,3-dimethyl-2,4-dioxo-6-quinazolinyl)sulfonyl...)
Show SMILES COCCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2n(C)c(=O)n(C)c(=O)c2c1
Show InChI InChI=1S/C23H28N4O6S/c1-26-20-11-10-17(15-18(20)22(29)27(2)23(26)30)34(31,32)25-19(14-16-8-5-4-6-9-16)21(28)24-12-7-13-33-3/h4-6,8-11,15,19,25H,7,12-14H2,1-3H3,(H,24,28)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37581
PNG
(4-(2-keto-2-pyrrolidino-ethoxy)-N-p-phenetyl-benze...)
Show SMILES CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)cc1
Show InChI InChI=1S/C20H24N2O5S/c1-2-26-17-7-5-16(6-8-17)21-28(24,25)19-11-9-18(10-12-19)27-15-20(23)22-13-3-4-14-22/h5-12,21H,2-4,13-15H2,1H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37585
PNG
(MLS000117493 | N-[2-(1-cyclohexenyl)ethyl]-6-(dime...)
Show SMILES CCn1cc(C(=O)NCCC2=CCCCC2)c(=O)c2cc(ccc12)S(=O)(=O)N(C)C |t:10|
Show InChI InChI=1S/C22H29N3O4S/c1-4-25-15-19(22(27)23-13-12-16-8-6-5-7-9-16)21(26)18-14-17(10-11-20(18)25)30(28,29)24(2)3/h8,10-11,14-15H,4-7,9,12-13H2,1-3H3,(H,23,27)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37591
PNG
(3-methyl-2-oxidanylidene-N-[1-(phenylmethyl)piperi...)
Show SMILES Cn1c2ccc(cc2oc1=O)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H23N3O4S/c1-22-18-8-7-17(13-19(18)27-20(22)24)28(25,26)21-16-9-11-23(12-10-16)14-15-5-3-2-4-6-15/h2-8,13,16,21H,9-12,14H2,1H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37596
PNG
(3-(1-oxidanylidene-1-phenyl-propan-2-yl)oxycyclohe...)
Show SMILES CC(OC1=CC(=O)CCC1)C(=O)c1ccccc1 |t:3|
Show InChI InChI=1S/C15H16O3/c1-11(15(17)12-6-3-2-4-7-12)18-14-9-5-8-13(16)10-14/h2-4,6-7,10-11H,5,8-9H2,1H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37598
PNG
(2,3-dihydro-1,4-benzodioxin-3-yl(1-pyrrolidinyl)me...)
Show SMILES O=C(C1COc2ccccc2O1)N1CCCC1
Show InChI InChI=1S/C13H15NO3/c15-13(14-7-3-4-8-14)12-9-16-10-5-1-2-6-11(10)17-12/h1-2,5-6,12H,3-4,7-9H2
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37521
PNG
(2-[5-(4-Fluoro-phenyl)-1-methyl-1H-imidazol-2-ylsu...)
Show SMILES Cn1c(SCC(=O)Nc2ccccc2N2CCOCC2)ncc1-c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN4O2S/c1-26-20(16-6-8-17(23)9-7-16)14-24-22(26)30-15-21(28)25-18-4-2-3-5-19(18)27-10-12-29-13-11-27/h2-9,14H,10-13,15H2,1H3,(H,25,28)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37538
PNG
((8S,8aR)-6-amino-5,7,7-tricyano-8-(3-pyridinyl)-1,...)
Show SMILES CC(C)(C)OC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H]([C@H]2C1)c1cccnc1 |c:10|
Show InChI InChI=1S/C22H22N6O2/c1-21(2,3)30-20(29)28-8-6-15-16(9-23)19(26)22(12-24,13-25)18(17(15)11-28)14-5-4-7-27-10-14/h4-5,7,10,17-18,26H,6,8,11H2,1-3H3/t17-,18+/m0/s1
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37546
PNG
(2-(3,4-dimethoxyphenyl)-5-(4-morpholinyl)-4-oxazol...)
Show SMILES COc1ccc(cc1OC)-c1nc(C#N)c(o1)N1CCOCC1
Show InChI InChI=1S/C16H17N3O4/c1-20-13-4-3-11(9-14(13)21-2)15-18-12(10-17)16(23-15)19-5-7-22-8-6-19/h3-4,9H,5-8H2,1-2H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37549
PNG
(5,6-dihydro-4H-1,3-thiazin-2-yl(o-tolyl)amine | ML...)
Show SMILES Cc1ccccc1N=C1NCCCS1 |w:7.7|
Show InChI InChI=1S/C11H14N2S/c1-9-5-2-3-6-10(9)13-11-12-7-4-8-14-11/h2-3,5-6H,4,7-8H2,1H3,(H,12,13)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37551
PNG
(MLS000082016 | N-[2-(4-methoxyphenyl)ethyl]-2,3-di...)
Show SMILES COc1ccc(CCNC(=O)C2=COCCO2)cc1 |t:11|
Show InChI InChI=1S/C14H17NO4/c1-17-12-4-2-11(3-5-12)6-7-15-14(16)13-10-18-8-9-19-13/h2-5,10H,6-9H2,1H3,(H,15,16)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37578
PNG
(2-[1,3-benzodioxol-5-yl(mesyl)amino]-N-[2-[(3-chlo...)
Show SMILES CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H21ClN2O5S2/c1-29(24,25)22(16-5-6-17-18(10-16)27-13-26-17)11-19(23)21-7-8-28-12-14-3-2-4-15(20)9-14/h2-6,9-10H,7-8,11-13H2,1H3,(H,21,23)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37589
PNG
(2-(2-keto-2-pyrrolidino-ethyl)-4H-1,4-benzoxazin-3...)
Show SMILES O=C(CC1Oc2ccccc2NC1=O)N1CCCC1
Show InChI InChI=1S/C14H16N2O3/c17-13(16-7-3-4-8-16)9-12-14(18)15-10-5-1-2-6-11(10)19-12/h1-2,5-6,12H,3-4,7-9H2,(H,15,18)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37600
PNG
(MLS000109696 | N-[1-methyl-1-[3-[1-methyl-1-(pyrro...)
Show SMILES CC(C)(NC(=O)N1CCCC1)c1cccc(c1)C(C)(C)NC(=O)N1CCCC1
Show InChI InChI=1S/C22H34N4O2/c1-21(2,23-19(27)25-12-5-6-13-25)17-10-9-11-18(16-17)22(3,4)24-20(28)26-14-7-8-15-26/h9-11,16H,5-8,12-15H2,1-4H3,(H,23,27)(H,24,28)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37530
PNG
(4-Chloro-N-(5-methyl-isoxazol-3-yl)-benzamide | 4-...)
Show SMILES Cc1cc(NC(=O)c2ccc(Cl)cc2)no1
Show InChI InChI=1S/C11H9ClN2O2/c1-7-6-10(14-16-7)13-11(15)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14,15)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM33514
PNG
(2-(2-bromophenyl)-5-[(5-methyl-2-furanyl)methylide...)
Show SMILES Cc1ccc(C=c2sc3nc(nn3c2=O)-c2ccccc2Br)o1
Show InChI InChI=1S/C16H10BrN3O2S/c1-9-6-7-10(22-9)8-13-15(21)20-16(23-13)18-14(19-20)11-4-2-3-5-12(11)17/h2-8H,1H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37550
PNG
(3-[4-(2,5-dimethoxyphenyl)-5-(2-methylallylthio)-1...)
Show SMILES COc1ccc(OC)c(c1)-n1c(SCC(C)=C)nnc1-c1cccc(c1)S(=O)(=O)N(C)C |(12.21,-4.26,;12.21,-2.72,;10.88,-1.95,;9.54,-2.72,;8.21,-1.95,;8.21,-.41,;6.88,.36,;5.54,-.41,;9.54,.36,;10.88,-.41,;9.54,1.9,;8.3,2.8,;6.83,2.32,;5.69,3.35,;4.22,2.88,;3.08,3.91,;3.9,1.37,;8.77,4.26,;10.31,4.26,;10.79,2.8,;12.25,2.32,;13.4,3.35,;14.86,2.88,;15.18,1.37,;14.04,.34,;12.57,.82,;14.36,-1.16,;15.87,-.84,;12.85,-1.48,;14.68,-2.67,;16.14,-3.15,;13.54,-3.7,)|
Show InChI InChI=1S/C22H26N4O4S2/c1-15(2)14-31-22-24-23-21(16-8-7-9-18(12-16)32(27,28)25(3)4)26(22)19-13-17(29-5)10-11-20(19)30-6/h7-13H,1,14H2,2-6H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37562
PNG
(MLS000085785 | N-(4-amino-1,2,5-oxadiazol-3-yl)-2-...)
Show SMILES Nc1nonc1NC(=O)CSc1nc2ccccc2s1
Show InChI InChI=1S/C11H9N5O2S2/c12-9-10(16-18-15-9)14-8(17)5-19-11-13-6-3-1-2-4-7(6)20-11/h1-4H,5H2,(H2,12,15)(H,14,16,17)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37566
PNG
(3-(1-ethyl-5-methyl-4-pyrazolyl)-N-(phenylmethyl)-...)
Show SMILES CCn1ncc(C2=NOC(C2)C(=O)NCc2ccccc2)c1C |t:6|
Show InChI InChI=1S/C17H20N4O2/c1-3-21-12(2)14(11-19-21)15-9-16(23-20-15)17(22)18-10-13-7-5-4-6-8-13/h4-8,11,16H,3,9-10H2,1-2H3,(H,18,22)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37570
PNG
(2-chloranyl-6-fluoranyl-N-[(5-phenacylsulfanyl-1,3...)
Show SMILES Fc1cccc(Cl)c1C(=O)NCc1nnc(SCC(=O)c2ccccc2)o1
Show InChI InChI=1S/C18H13ClFN3O3S/c19-12-7-4-8-13(20)16(12)17(25)21-9-15-22-23-18(26-15)27-10-14(24)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,21,25)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37574
PNG
(MLS000092878 | N-(3-chloranyl-2-methyl-phenyl)-4-m...)
Show SMILES Cc1ncoc1C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C12H11ClN2O2/c1-7-9(13)4-3-5-10(7)15-12(16)11-8(2)14-6-17-11/h3-6H,1-2H3,(H,15,16)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37580
PNG
(3,4,5-triethoxy-N-(2-pyrimidinyl)benzamide | 3,4,5...)
Show SMILES CCOc1cc(cc(OCC)c1OCC)C(=O)Nc1ncccn1
Show InChI InChI=1S/C17H21N3O4/c1-4-22-13-10-12(11-14(23-5-2)15(13)24-6-3)16(21)20-17-18-8-7-9-19-17/h7-11H,4-6H2,1-3H3,(H,18,19,20,21)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37582
PNG
(6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]m...)
Show SMILES Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5OCOc5c4)CC3)n2)cc1
Show InChI InChI=1S/C23H27N7O2/c1-16-2-5-18(6-3-16)25-23-27-21(26-22(24)28-23)14-30-10-8-29(9-11-30)13-17-4-7-19-20(12-17)32-15-31-19/h2-7,12H,8-11,13-15H2,1H3,(H3,24,25,26,27,28)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37588
PNG
(5-[(4-methoxyphenyl)sulfonylmethyl]-N-[2-(4-sulfam...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H22N2O7S2/c1-29-16-4-9-18(10-5-16)31(25,26)14-17-6-11-20(30-17)21(24)23-13-12-15-2-7-19(8-3-15)32(22,27)28/h2-11H,12-14H2,1H3,(H,23,24)(H2,22,27,28)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37590
PNG
(2-[[4-(4-fluorophenyl)-5-[(1-methyl-2-pyrrolyl)met...)
Show SMILES Cn1cccc1Cc1nnc(SCC(=O)NCC2CCCO2)n1-c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN5O2S/c1-26-10-2-4-17(26)12-19-24-25-21(27(19)16-8-6-15(22)7-9-16)30-14-20(28)23-13-18-5-3-11-29-18/h2,4,6-10,18H,3,5,11-14H2,1H3,(H,23,28)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37593
PNG
(2-[(2-hydroxyethylamino)methylene]-5,5-dimethyl-cy...)
Show SMILES [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]/[#7]-[#6]-[#6]-[#8])-[#6](=O)-[#6]1
Show InChI InChI=1S/C11H17NO3/c1-11(2)5-9(14)8(10(15)6-11)7-12-3-4-13/h7,12-13H,3-6H2,1-2H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37254
PNG
(10-phenothiazinecarbothioic acid S-(5-methyl-1,3,4...)
Show SMILES Cc1nnc(SC(=O)N2c3ccccc3Sc3ccccc23)s1
Show InChI InChI=1S/C16H11N3OS3/c1-10-17-18-15(21-10)23-16(20)19-11-6-2-4-8-13(11)22-14-9-5-3-7-12(14)19/h2-9H,1H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37519
PNG
(5-Piperidin-1-ylmethyl-furan-2-carboxylic acid (4-...)
Show SMILES CC(C)CCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)c1ccc(CN2CCCCC2)o1
Show InChI InChI=1S/C26H36FN3O3/c1-19(2)13-14-28-25(31)20(3)30(17-21-7-9-22(27)10-8-21)26(32)24-12-11-23(33-24)18-29-15-5-4-6-16-29/h7-12,19-20H,4-6,13-18H2,1-3H3,(H,28,31)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37524
PNG
(1-(2,5-Dimethoxy-phenyl)-2-[5-(3,4-dimethoxy-pheny...)
Show SMILES COc1ccc(OC)c(c1)C(=O)CSc1nnc(o1)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H20N2O6S/c1-24-13-6-8-16(25-2)14(10-13)15(23)11-29-20-22-21-19(28-20)12-5-7-17(26-3)18(9-12)27-4/h5-10H,11H2,1-4H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37526
PNG
(2-butyl-1-[2-(2-butyl-1-imidazolyl)ethyl]imidazole...)
Show SMILES CCCCc1nccn1CCn1ccnc1CCCC
Show InChI InChI=1S/C16H26N4/c1-3-5-7-15-17-9-11-19(15)13-14-20-12-10-18-16(20)8-6-4-2/h9-12H,3-8,13-14H2,1-2H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37542
PNG
(1-(4-cyclopentyl-1-piperazinyl)-3-methyl-4-pyrido[...)
Show SMILES Cc1cc(N2CCN(CC2)C2CCCC2)n2c(nc3ccccc23)c1C#N
Show InChI InChI=1S/C22H25N5/c1-16-14-21(26-12-10-25(11-13-26)17-6-2-3-7-17)27-20-9-5-4-8-19(20)24-22(27)18(16)15-23/h4-5,8-9,14,17H,2-3,6-7,10-13H2,1H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37543
PNG
(4-bromanyl-2-methyl-N-(2-methylsulfanylphenyl)pyra...)
Show SMILES CSc1ccccc1NC(=O)c1c(Br)cnn1C
Show InChI InChI=1S/C12H12BrN3OS/c1-16-11(8(13)7-14-16)12(17)15-9-5-3-4-6-10(9)18-2/h3-7H,1-2H3,(H,15,17)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37544
PNG
(1-[3-(1-cyano-2-isopropoxy-2-keto-ethyl)quinoxalin...)
Show SMILES CCOC(=O)C1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OC(C)C
Show InChI InChI=1S/C22H26N4O4/c1-4-29-21(27)15-9-11-26(12-10-15)20-19(16(13-23)22(28)30-14(2)3)24-17-7-5-6-8-18(17)25-20/h5-8,14-16H,4,9-12H2,1-3H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37545
PNG
((2,3-dimethoxybenzylidene)-(2-methylbenzimidazol-1...)
Show SMILES COc1cccc(C=Nn2c(C)nc3ccccc23)c1OC |w:8.8|
Show InChI InChI=1S/C17H17N3O2/c1-12-19-14-8-4-5-9-15(14)20(12)18-11-13-7-6-10-16(21-2)17(13)22-3/h4-11H,1-3H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37560
PNG
(MLS000045970 | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-...)
Show SMILES COc1ccc(CCNC(=O)c2ccc(cc2)N2CCCC2=O)cc1OC
Show InChI InChI=1S/C21H24N2O4/c1-26-18-10-5-15(14-19(18)27-2)11-12-22-21(25)16-6-8-17(9-7-16)23-13-3-4-20(23)24/h5-10,14H,3-4,11-13H2,1-2H3,(H,22,25)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37564
PNG
(4-(4-keto-3-p-anisyl-2-thioxo-1H-quinazoline-7-car...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(OC)cc1)c2=O
Show InChI InChI=1S/C24H26N4O5S/c1-3-33-24(31)27-12-10-26(11-13-27)21(29)17-6-9-19-20(14-17)25-23(34)28(22(19)30)15-16-4-7-18(32-2)8-5-16/h4-9,14H,3,10-13,15H2,1-2H3,(H,25,34)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37569
PNG
(4-(4-acetoxy-3-methoxy-phenyl)-2-(acetylthio)-6-me...)
Show SMILES CCOC(=O)C1C(N=C(SC(C)=O)N=C1C)c1ccc(OC(C)=O)c(OC)c1 |c:13,t:7|
Show InChI InChI=1S/C19H22N2O6S/c1-6-26-18(24)16-10(2)20-19(28-12(4)23)21-17(16)13-7-8-14(27-11(3)22)15(9-13)25-5/h7-9,16-17H,6H2,1-5H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37573
PNG
(MLS000044182 | N-[1-(cyclopentylcarbamoyl)cyclohex...)
Show SMILES O=C(NC1CCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1ccc(=O)[nH]c1
Show InChI InChI=1S/C23H29N3O4/c27-20-11-10-17(15-24-20)21(28)26(16-19-9-6-14-30-19)23(12-4-1-5-13-23)22(29)25-18-7-2-3-8-18/h6,9-11,14-15,18H,1-5,7-8,12-13,16H2,(H,24,27)(H,25,29)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37584
PNG
(MLS000116416 | N-[1-(2,4-dichlorobenzyl)pyrazol-4-...)
Show SMILES Clc1ccc(Cn2cc(NC(=O)c3noc4CCCCc34)cn2)c(Cl)c1
Show InChI InChI=1S/C18H16Cl2N4O2/c19-12-6-5-11(15(20)7-12)9-24-10-13(8-21-24)22-18(25)17-14-3-1-2-4-16(14)26-23-17/h5-8,10H,1-4,9H2,(H,22,25)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37592
PNG
(MLS000109944 | SMR000105877 | cid_1370828)
Show SMILES O=c1oc2c3CCCN4CCCc(cc2cc1-c1nc2ccccc2[nH]1)c34
Show InChI InChI=1S/C22H19N3O2/c26-22-16(21-23-17-7-1-2-8-18(17)24-21)12-14-11-13-5-3-9-25-10-4-6-15(19(13)25)20(14)27-22/h1-2,7-8,11-12H,3-6,9-10H2,(H,23,24)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37597
PNG
(4-chloranyl-3-piperidin-1-ylsulfonyl-N-(1,3-thiazo...)
Show SMILES Clc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1nccs1
Show InChI InChI=1S/C15H16ClN3O3S2/c16-12-5-4-11(14(20)18-15-17-6-9-23-15)10-13(12)24(21,22)19-7-2-1-3-8-19/h4-6,9-10H,1-3,7-8H2,(H,17,18,20)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37601
PNG
(3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1-benzop...)
Show SMILES CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1
Show InChI InChI=1S/C20H19N3O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37602
PNG
(1-amino-3,3-dimethyl-4H-naphthalene-2-carbonitrile...)
Show SMILES CC1(C)Cc2ccccc2C(=N)C1C#N
Show InChI InChI=1S/C13H14N2/c1-13(2)7-9-5-3-4-6-10(9)12(15)11(13)8-14/h3-6,11,15H,7H2,1-2H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37528
PNG
(4-Ethynyl-1,2,6-trimethyl-piperidin-4-ol | 4-ethyn...)
Show SMILES CC1CC(O)(CC(C)N1C)C#C
Show InChI InChI=1S/C10H17NO/c1-5-10(12)6-8(2)11(4)9(3)7-10/h1,8-9,12H,6-7H2,2-4H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37540
PNG
(5-amino-3-(4-methoxyphenyl)-2-methyl-4-imidazoleca...)
Show SMILES COC(=O)c1c(N)nc(C)n1-c1ccc(OC)cc1
Show InChI InChI=1S/C13H15N3O3/c1-8-15-12(14)11(13(17)19-3)16(8)9-4-6-10(18-2)7-5-9/h4-7H,14H2,1-3H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37553
PNG
(5-(2-hydroxy-5-methyl-benzoyl)-2-keto-1-(tetrahydr...)
Show SMILES Cc1ccc(O)c(c1)C(=O)c1cc(C#N)c(=O)n(CC2CCCO2)c1
Show InChI InChI=1S/C19H18N2O4/c1-12-4-5-17(22)16(7-12)18(23)14-8-13(9-20)19(24)21(10-14)11-15-3-2-6-25-15/h4-5,7-8,10,15,22H,2-3,6,11H2,1H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37555
PNG
(5-[(1-benzyl-3,5-dimethyl-pyrazole-4-carbonyl)amin...)
Show SMILES CCOC(=O)c1sc(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1C
Show InChI InChI=1S/C21H23N3O3S/c1-5-27-21(26)19-13(2)11-17(28-19)22-20(25)18-14(3)23-24(15(18)4)12-16-9-7-6-8-10-16/h6-11H,5,12H2,1-4H3,(H,22,25)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37567
PNG
(3-methyl-5-(1-piperidinylsulfonyl)-N-(3-pyridinylm...)
Show SMILES Cc1c(oc2ccc(cc12)S(=O)(=O)N1CCCCC1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C21H23N3O4S/c1-15-18-12-17(29(26,27)24-10-3-2-4-11-24)7-8-19(18)28-20(15)21(25)23-14-16-6-5-9-22-13-16/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,23,25)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37571
PNG
(1-[2-[2,5-bis(oxidanylidene)imidazolidin-4-yl]etha...)
Show SMILES O=C(CC1NC(=O)NC1=O)N(Cc1ccco1)C1(CCCCC1)C(=O)NC1CCCC1
Show InChI InChI=1S/C22H30N4O5/c27-18(13-17-19(28)25-21(30)24-17)26(14-16-9-6-12-31-16)22(10-4-1-5-11-22)20(29)23-15-7-2-3-8-15/h6,9,12,15,17H,1-5,7-8,10-11,13-14H2,(H,23,29)(H2,24,25,28,30)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37577
PNG
(MLS000100098 | N-(3-hydroxyphenyl)-2-(2,4,5-trimet...)
Show SMILES Cc1cc(C)c(OCC(=O)Nc2cccc(O)c2)cc1C
Show InChI InChI=1S/C17H19NO3/c1-11-7-13(3)16(8-12(11)2)21-10-17(20)18-14-5-4-6-15(19)9-14/h4-9,19H,10H2,1-3H3,(H,18,20)
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37594
PNG
(3-(dimethylaminomethyleneamino)-4-keto-5-methyl-th...)
Show SMILES CCOC(=O)c1sc2ncn(N=CN(C)C)c(=O)c2c1C |w:11.10|
Show InChI InChI=1S/C13H16N4O3S/c1-5-20-13(19)10-8(2)9-11(21-10)14-6-17(12(9)18)15-7-16(3)4/h6-7H,5H2,1-4H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37599
PNG
((4-phenyl-1-piperazinyl)-(3,4,5-triethoxyphenyl)me...)
Show SMILES CCOc1cc(cc(OCC)c1OCC)C(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H30N2O4/c1-4-27-20-16-18(17-21(28-5-2)22(20)29-6-3)23(26)25-14-12-24(13-15-25)19-10-8-7-9-11-19/h7-11,16-17H,4-6,12-15H2,1-3H3
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Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%