Compile Data Set for Download or QSAR

Found 92 hits Enz. Inhib. hit(s) with all data for entry = 3897   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Huntingtin (Homo sapiens (Human))	BDBM37533 ((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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 (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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 ((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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
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 ((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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
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 ((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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
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 (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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 ((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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 ((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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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

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